SCHEMBL3737503

SCHEMBL3737503

O=C(O)Cc1ccccc1-c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.50
KCNA5 P22460 1/20 0.49
KCNH2 Q12809 1/20 0.49
KMT2A Q03164 1/20 0.47
PTGER1 P34995 2/20 0.47
PTGER4 P35408 2/20 0.47
PTGER3 P43115 2/20 0.47
PTGER2 P43116 2/20 0.47
PTGS2 P35354 1/20 0.47
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NOTUM Q6P988 1/20 0.43
ENPP2 Q13822 1/20 0.43
PLOD2 O00469 1/20 0.42
PLOD3 O60568 1/20 0.42

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
SCHEMBL538512 0.87 KMT2A (0.60) AKR1B1KMT2APTGER1PTGER4PTGER3
SCHEMBL28594606 0.85 KMT2A (0.58) AKR1B1KMT2APTGER1PTGER4PTGER3
Hydrochloric Acid SCHEMBL11895689 0.85 KMT2A (0.58) AKR1B1KMT2APTGER1PTGER4PTGER3
Ammonia Solution, Strong SCHEMBL27926479 0.85 KMT2A (0.58) AKR1B1KMT2APTGER1PTGER4PTGER3
SCHEMBL29512995 0.85 KMT2A (0.58) AKR1B1KMT2APTGER1PTGER4PTGER3
SCHEMBL27701716 0.85 KMT2A (0.58) AKR1B1KMT2APTGER1PTGER4PTGER3
SCHEMBL8118284 0.85 TDP1 (0.53) AKR1B1KCNA5KCNH2CYP1A2KDM4E
SCHEMBL6598295 0.84 KCNA5 (0.44) KCNA5KCNH2KMT2ACYP1A2MAPT
Ethane SCHEMBL28588588 0.83 PTGS1 (0.57) AKR1B1KMT2APTGER1PTGER4PTGER3
SCHEMBL5961842 0.83 PTGS1 (0.59) AKR1B1KMT2APTGER1PTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255173-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GESELLSCHAFT (DE) 2008-10-16 US claimed
EP-1817031-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2007-08-15 EP claimed
WO-2006058592-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-06-08 WO claimed
US-7829721-B2 Specific caspase-10 inhibitors MERCK PATENT GMBH (DE) 2010-11-09 US disclosed
US-20080255173-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GESELLSCHAFT (DE) 2008-10-16 US disclosed
EP-1817031-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2007-08-15 EP disclosed
WO-2006058592-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-06-08 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 (1 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-20080255173-A1 Novel Specific Caspase-10 Inhibitors CASP10, CASP1, CASP5 AKR1B1 1440/4885KCNA5 2023/4885KCNH2 3252/4885

“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.