SCHEMBL3597858

SCHEMBL3597858

O=Cc1ccc2cc(Cl)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
CCR1 P32246 1/20 0.47
S1PR4 O95977 2/20 0.45
HTR3A P46098 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
ERN1 O75460 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3748357 0.86 CCR1 (0.48) TDP1CCR1S1PR4HTR3AALDH1A1
Trifluoroacetic Acid SCHEMBL28688823 0.86 KDM4E (0.39) TDP1CCR1S1PR4ERN1KDM4E
SCHEMBL11517006 0.81 S1PR4 (0.45) TDP1S1PR4HTR3AHRH4KDM4E
SCHEMBL14912331 0.78 KDM4E (0.45) TDP1HTR3AHRH4ALDH1A1KDM4E
SCHEMBL14912329 0.78 KDM4E (0.45) TDP1HTR3AHRH4ALDH1A1KDM4E
SCHEMBL13456148 0.77 CCR1 (0.47) CCR1S1PR4ERN1ALDH1A1KDM4E
SCHEMBL1914989 0.77 BACE1 (0.53) CCR1ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL10740204 0.77 CYP1A2 (0.57) CCR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2278668 0.77 CCR1 (0.47) CCR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1002564 0.77 BACE1 (0.53) CCR1ERN1ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024052692-A1 NOVEL COMPOUNDS AS CK2 INHIBITORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 WO disclosed
WO-2023231948-A1 ISR INHIBITORS, METHOD FOR PREPARING SAME, AND USE THEREOF 中国药科大学 2023-12-07 WO disclosed
CN-116768877-A ISR inhibitor and preparation method and application thereof 中国药科大学 2023-09-19 CN disclosed
WO-2018080065-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2018-05-03 WO disclosed
US-9657034-B2 Substituted furo[3,2-c]pyridines, thieno[3,2-c]pyridines, thieno[2,3-d]pyridazines and pyrido[3,4-d]pyridazines as phosphodiesterase type 10A inhibitors AbbVie Deuschland GmbH & Co. KG (DE) 2017-05-23 US disclosed
EP-2776418-B1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-01-04 EP disclosed
US-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-05-19 US disclosed
US-9273068-B2 Substituted isoquinolines and phthalazines as inhibitors of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-01 US disclosed
EP-2937341-A1 4-(BENZYL)-PIPERAZINE-1-CARBOXYLIC ACID PHENYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS Janssen Pharmaceutica N.V. (BE) 2015-10-28 EP disclosed
EP-2937341-A1 4-(BENZYL)-PIPERAZINE-1-CARBOXYLIC ACID PHENYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS Janssen Pharmaceutica N.V. (BE) 2015-10-28 EP disclosed
WO-2006074025-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed
WO-2006038989-A1 SUBSTITUTED ARYLAMIDES CHEMOCENTRYX, INC. (US) 2006-04-13 WO disclosed
US-20060074071-A1 Substituted arylamides CHEMOCENTRYX, INC. (US) 2006-04-06 US disclosed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
US-20050154039-A1 5-Sulphanyl-4h-1,2,4-triazole derivatives and their use as medicine IPSEN PHARMA S.A.S. (FR) 2005-07-14 US disclosed
CN-1617859-A 5-sulfanyl-4H-1, 2, 4-triazole derivatives and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2005-05-18 CN disclosed
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 US disclosed
EP-1465880-A1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-10-13 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO disclosed
WO-2003045926-A1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHE ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-06-05 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 (4 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-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B TDP1 62/4885CCR1 1062/4885S1PR4 1390/4885
US-20060074071-A1 Substituted arylamides AADAC, BRDT, BRPF3 TDP1 2556/4885CCR1 4599/4885S1PR4 2776/4885
US-20050154039-A1 5-Sulphanyl-4h-1,2,4-triazole derivatives and their use as medicine SSTR3, SSTR1, SSTR5 TDP1 4177/4885CCR1 391/4885S1PR4 134/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 TDP1 1062/4885CCR1 906/4885S1PR4 4520/4885

“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.