SCHEMBL5860116

SCHEMBL5860116

COc1ccc(N)cc1C(=O)C(Cl)Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.41
ALOX5 P09917 1/20 0.41
PYGL P06737 1/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
KDM4C Q9H3R0 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NR4A1 P22736 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
RAD52 P43351 1/20 0.38
GFER P55789 1/20 0.38
CYP3A4 P08684 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27992026 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EHTTLMNAL3MBTL1
SCHEMBL98371 0.79 ALDH1A1 (0.73) ALDH1A1KDM4EHTTLMNAL3MBTL1
SCHEMBL31295589 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHTTLMNAL3MBTL1
SCHEMBL623759 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHTTLMNAL3MBTL1
SCHEMBL3884423 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHTTLMNAL3MBTL1
Hydrochloric Acid SCHEMBL25217998 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EHTTLMNAL3MBTL1
Hydrochloric Acid SCHEMBL31095289 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EHTTLMNAL3MBTL1
Hydrochloric Acid SCHEMBL15486584 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EHTTLMNAL3MBTL1
SCHEMBL570110 0.77 GAA (0.61) ALDH1A1KDM4EHTTLMNAL3MBTL1
SCHEMBL28141130 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EHTTLMNAL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135478-B2 Analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-11-14 US disclosed
US-7053102-B2 Analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-05-30 US disclosed
EP-1251125-B1 New camptothecin analogues, preparation methods thereof, use thereof as drugs, and pharmaceutical compositions containing them SOD CONSEILS RECH APPLIC (FR) 2005-12-07 EP disclosed
CN-1227254-C Pyridone compound and its prepn process SOD CONSEILS RECH APPLIC (FR) 2005-11-16 CN disclosed
US-20050038064-A1 Anticarcinogenic agents; breast, colon, lung, prostate, ovarian, and gastric cancers, leukemia, melanomas; (5R)-5-ethyl-9,10-difluoro-5-hydroxy-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione SOCIETE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2005-02-17 US disclosed
US-20040254163-A1 New analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2004-12-16 US disclosed
US-6815546-B2 ANTICANCER AGENTS SOCIETE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-11-09 US disclosed
US-6797715-B1 Analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-09-28 US disclosed
US-6762301-B2 Analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-13 US disclosed
EP-0946567-B1 NOVEL COUNTERPARTS OF CAMPTOTHECIN, THEIR APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-08-27 EP disclosed
EP-0835258-B1 NOVEL CAMPTOTHECIN ANALOGUES, PREPARATION METHODS THEREFOR, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID ANALOGUES SOD CONSEILS RECH APPLIC (FR) 2002-09-25 EP disclosed
US-6339091-B1 USEFUL IN THERAPY OF OF VIRAL INFECTIONS, PARASITIC DISEASES AND CANCER SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-15 US disclosed
US-6313135-B1 FOR THERAPY OF LEUKEMIA, COLON CANCER OR LUNG CANCER IN WARM-BLOODED ANIMALS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-11-06 US disclosed
CN-1241191-A Novel analogues of camptothecin, their use as medicaments and pharmaceutical compositions containing them SOD CONSEILS RECH APPLIC (FR) 2000-01-12 CN disclosed
US-5981542-A TOPOISOMERASE INHIBITORS; ANTITUMORAL DRUGS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-11-09 US disclosed
EP-0946567-A1 NOVEL COUNTERPARTS OF CAMPTOTHECIN, THEIR APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-10-06 EP disclosed
CN-1192740-A Novel camptothecin analogues, their preparation method, their pharmaceutical use and their pharmaceutical compositions SOD CONSEILS RECH APPLIC (FR) 1998-09-09 CN disclosed
WO-1998028305-A1 NOVEL COUNTERPARTS OF CAMPTOTHECIN, THEIR APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-07-02 WO disclosed
EP-0835258-A1 NOVEL CAMPTOTHECIN ANALOGUES, PREPARATION METHODS THEREFOR, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID ANALOGUES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-04-15 EP disclosed
WO-1997000876-A1 NOVEL CAMPTOTHECIN ANALOGUES, PREPARATION METHODS THEREFOR, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID ANALOGUES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) 1997-01-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040254163-A1 New analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them TOP2A, TOP1, MCL1 ALDH1A1 778/4885KDM4E 4381/4885HTT 3647/4885
US-20050038064-A1 Anticarcinogenic agents; breast, colon, lung, prostate, ovarian, and gastric cancers, leukemia, melanomas; (5R)-5-ethyl-9,10-difluoro-5-hydroxy-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione MCL1, BRCA1, API5 ALDH1A1 284/4885KDM4E 699/4885HTT 1505/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.