SCHEMBL4135468

SCHEMBL4135468

COC(=O)c1c(Cl)cncc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
POLB P06746 1/20 0.41
PDE4D Q08499 3/20 0.41
NR4A2 P43354 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL15729497 0.88 CA12 (0.47) ATMALDH1A1KDM4ETSHRHPGD
SCHEMBL28318216 0.88 ATM (0.44) ATMALDH1A1KDM4ETSHRHPGD
SCHEMBL535478 0.87 ALDH1A1 (0.49) ATMALDH1A1KDM4ETSHRHPGD
SCHEMBL17197218 0.87 CYP11B2 (0.41) ATMALDH1A1KDM4ETSHRHPGD
SCHEMBL10107525 0.78 PDE4A (0.51) ATMALDH1A1KDM4ETSHRHPGD
SCHEMBL14893447 0.76 ATM (0.49) ATMALDH1A1KDM4ETSHRPDE4D
SCHEMBL517538 0.76 CA12 (0.61) ALDH1A1KDM4ETSHRHPGDHSD17B10
SCHEMBL5542753 0.76 KMT2A (0.53) ALDH1A1KDM4ETSHRHPGDHSD17B10
SCHEMBL10467534 0.76 ALDH1A1 (0.48) ATMALDH1A1KDM4ETSHRHSD17B10
SCHEMBL28928124 0.75 CYP3A4 (0.37) ALDH1A1HPGDPOLBPDE4DMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-7361679-B2 2-phenyl-3-heteroarylpropionic acid derivative or salt thereof and medicine containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
US-7361679-B2 2-phenyl-3-heteroarylpropionic acid derivative or salt thereof and medicine containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM ATM 793/4885ALDH1A1 2329/4885KDM4E 899/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM ATM 793/4885ALDH1A1 2329/4885KDM4E 899/4885

“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.