SCHEMBL414700

SCHEMBL414700

CC1(C)CCSC2=C1C(=O)C(=O)c1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.50
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
BLM P54132 4/20 0.41
THRB P10828 3/20 0.41
RECQL P46063 3/20 0.41
TP53 P04637 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
ALOX15 P16050 3/20 0.41
CYP2C19 P33261 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
CASP7 P55210 2/20 0.41
CASP1 P29466 1/20 0.41
KMT5A Q9NQR1 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
SCHEMBL2599344 0.68 S100A4 (1.00) S100A4MEN1KMT2AALDH1A1KDM4E
SCHEMBL8260286 0.66 MEN1 (0.46) S100A4MEN1KMT2AALDH1A1KDM4E
SCHEMBL4658410 0.66 MEN1 (0.42) S100A4MEN1KMT2AALDH1A1KDM4E
SCHEMBL416283 0.65 MALT1 (0.51) S100A4MEN1KMT2AALDH1A1KDM4E
SCHEMBL5940345 0.63 S100A4 (0.53) S100A4MEN1KMT2AALDH1A1KDM4E
SCHEMBL28281313 0.63 IDO1 (0.47) S100A4MEN1KMT2AALDH1A1KDM4E
SCHEMBL4657699 0.61 S100A4 (0.67) S100A4MEN1KMT2AALDH1A1KDM4E
9,10-Phenanthrenequinone SCHEMBL43050 0.60 MEN1 (1.00) S100A4MEN1KMT2AALDH1A1KDM4E
9,10-Phenanthrenequinone SCHEMBL31598775 0.60 MEN1 (1.00) S100A4MEN1KMT2AALDH1A1KDM4E
9,10-Phenanthrenequinone SCHEMBL29384320 0.60 MEN1 (1.00) S100A4MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545507-A4 ACTIVATED CHECKPOINT THERAPY AND METHODS OF USE THEREOF ARQULE INC (US) 2009-04-22 EP claimed
EP-1545507-A2 ACTIVATED CHECKPOINT THERAPY AND METHODS OF USE THEREOF Arqule, Inc. (US) 2005-06-29 EP claimed
US-20040209942-A1 Activated checkpoint therapy and methods of use thereof BETH ISRAEL DEACONESS MEDICAL CENTER 2004-10-21 US claimed
WO-2004007531-A2 ACTIVATED CHECKPOINT THERAPY AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-01-22 WO claimed
US-20230255904-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NAPHTHOQUINONE-BASED COMPOUND AND IMMUNE CHECKPOINT INHIBITOR AS ACTIVE INGREDIENTS NADIANBIO LTD. (KR) 2023-08-17 US disclosed
US-20230255904-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NAPHTHOQUINONE-BASED COMPOUND AND IMMUNE CHECKPOINT INHIBITOR AS ACTIVE INGREDIENTS NADIANBIO LTD. (KR) 2023-08-17 US disclosed
EP-4180034-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NAPHTHOQUINONE-BASED COMPOUND AND IMMUNE CHECKPOINT INHIBITOR AS ACTIVE INGREDIENTS NADIANBIO Ltd. (KR) 2023-05-17 EP disclosed
US-20140154319-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF CARDIAC DISEASE KWAK TAEHWAN (KR) 2014-06-05 US disclosed
US-20140154319-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF CARDIAC DISEASE KWAK TAEHWAN (KR) 2014-06-05 US disclosed
US-20130302422-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF KIDNEY DISEASES KT & G CORPORATION (KR) 2013-11-14 US disclosed
US-20130302422-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF KIDNEY DISEASES KT & G CORPORATION (KR) 2013-11-14 US disclosed
US-20120289577-A1 COMPOSITION FOR TREATING OR PREVENTING HEARING LOSS COMPRISING NAPHTHOQUINONE-BASED COMPOUNDS KT&G LIFE SCIENCES CORPORATION (KR) 2012-11-15 US disclosed
EP-1545507-A2 ACTIVATED CHECKPOINT THERAPY AND METHODS OF USE THEREOF Arqule, Inc. (US) 2005-06-29 EP disclosed
US-20050054018-A1 Activated checkpoint therapy and methods of use thereof LI CHIANG J (US) 2005-03-10 US disclosed
US-20040266857-A1 Novel lapachone compounds and methods of use thereof HINES GLOBAL EDUCATION 2004-12-30 US disclosed
US-20040253216-A1 Activated checkpoint therapy and methods of use thereof LI CHIANG J (US) 2004-12-16 US disclosed
US-20040253730-A1 Activated checkpoint therapy and methods of use thereof LI CHIANG J (US) 2004-12-16 US disclosed
US-20040209942-A1 Activated checkpoint therapy and methods of use thereof BETH ISRAEL DEACONESS MEDICAL CENTER 2004-10-21 US disclosed
WO-2004045557-A2 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-06-03 WO disclosed
WO-2004007531-A2 ACTIVATED CHECKPOINT THERAPY AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-01-22 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 (8 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-20040253730-A1 Activated checkpoint therapy and methods of use thereof TP53, CHEK1, CHEK2 S100A4 3513/4885MEN1 4413/4885KMT2A 2159/4885
US-20040266857-A1 Novel lapachone compounds and methods of use thereof XIAP, MKI67, PIN1 S100A4 657/4885MEN1 2813/4885KMT2A 3488/4885
US-20130302422-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF KIDNEY DISEASES REN, ATP6V1B1, SLC5A1 S100A4 2402/4885MEN1 1424/4885KMT2A 4276/4885
US-20040209942-A1 Activated checkpoint therapy and methods of use thereof TP53, CHEK1, CHEK2 S100A4 3513/4885MEN1 4413/4885KMT2A 2159/4885
US-20120289577-A1 COMPOSITION FOR TREATING OR PREVENTING HEARING LOSS COMPRISING NAPHTHOQUINONE-BASED COMPOUNDS NQO1, MT-ND6, MT-ND5 S100A4 1704/4885MEN1 373/4885KMT2A 2860/4885
US-20230255904-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NAPHTHOQUINONE-BASED COMPOUND AND IMMUNE CHECKPOINT INHIBITOR AS ACTIVE INGREDIENTS PDCD1, CD274, PDCD10 S100A4 2768/4885MEN1 1409/4885KMT2A 3411/4885
US-20140154319-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF CARDIAC DISEASE TNNT2, TNNC1, TNNI3 S100A4 2679/4885MEN1 2796/4885KMT2A 4646/4885
US-20040253216-A1 Activated checkpoint therapy and methods of use thereof TP53, CHEK1, CHEK2 S100A4 3513/4885MEN1 4413/4885KMT2A 2159/4885

“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.