SCHEMBL988503

SCHEMBL988503

COC(=O)c1cccc2nc(Nc3ccc(Cl)cc3)oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
IGF1R P08069 1/20 0.46
ERBB3 P21860 1/20 0.46
ERBB4 Q15303 1/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
CETP P11597 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
RPS6KA2 Q15349 4/20 0.43
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALOX5 P09917 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
SCHEMBL12583769 0.86 RAB9A (0.49) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL12583793 0.82 DRD2 (0.47) CETPDRD2TBXA2RSMN1; SMN2MAPT
SCHEMBL12900455 0.82 HDAC3 (0.42) KDM4EDRD2TBXA2RTP53MAPT
SCHEMBL12583779 0.82 DRD2 (0.42) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL12948674 0.81 DRD2 (0.41) EGFRERBB2IGF1RERBB3ERBB4
SCHEMBL2957776 0.80 DHODH (0.58) CETPKDM4ESLC6A4SLC6A3NPC1
SCHEMBL2826621 0.79 KDM4E (0.51) CETPKDM4ESLC6A4SLC6A3MAPT
SCHEMBL12948806 0.77 GAA (0.51) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL10085248 0.75 PTGER4 (0.49)
SCHEMBL12583780 0.74 HSD17B10 (0.46) KDM4ENPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598355-B2 Amide compound ASTELLAS PHARMA INC. (JP) 2013-12-03 US disclosed
EP-2565191-A1 4-(Indol-7-ylcarbonylaminomethyl)cyclohexanecarboxylic acid derivatives as EP4 receptor antagonists useful for the treatment of chronic renal failure or diabetic nephropathy Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed
EP-2460787-A1 Amide compounds and their use as PGE2 antagonists. Astellas Pharma Inc. (JP) 2012-06-06 EP disclosed
EP-2460787-A1 Amide compounds and their use as PGE2 antagonists. Astellas Pharma Inc. (JP) 2012-06-06 EP disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 US disclosed
US-20110028463-A1 AMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-02-03 US disclosed
US-20110028463-A1 AMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-02-03 US disclosed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP disclosed
EP-2277858-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-01-26 EP disclosed
EP-2172447-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 EP disclosed
WO-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 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-20110144153-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 EGFR 452/4885ERBB2 773/4885IGF1R 1692/4885
US-20110028463-A1 AMIDE COMPOUNDS PTGER4, PTGER1, PTGER2 EGFR 519/4885ERBB2 1074/4885IGF1R 1560/4885

“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.