SCHEMBL5658223

SCHEMBL5658223

COC(=O)c1nccc2c(N)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 5/20 0.45
CFTR P13569 1/20 0.45
PSMD14 O00487 1/20 0.43
KDM4E B2RXH2 7/20 0.42
STAT3 P40763 1/20 0.42
HIF1A Q16665 1/20 0.42
NCOA1 Q15788 2/20 0.41
NCOA3 Q9Y6Q9 2/20 0.41
HPGD P15428 4/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLA P06280 3/20 0.41
GAA P10253 3/20 0.41
CDC25B P30305 3/20 0.40
MAP2K1 Q02750 1/20 0.40
ROCK1 Q13464 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27619014 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4ENCOA1NCOA3
SCHEMBL28788244 0.80 ALDH1A1 (0.46) L3MBTL1ALDH1A1HSD17B10PSMD14KDM4E
SCHEMBL30232753 0.78 L3MBTL1 (0.60) L3MBTL1ALDH1A1HSD17B10CFTRKDM4E
SCHEMBL126054 0.78 L3MBTL1 (0.60) L3MBTL1ALDH1A1HSD17B10CFTRKDM4E
SCHEMBL5656450 0.78 TDP1 (0.51) L3MBTL1ALDH1A1KDM4ENCOA1NCOA3
SCHEMBL22948056 0.76 ALDH1A1 (0.42) L3MBTL1ALDH1A1HSD17B10CFTRPSMD14
SCHEMBL31224994 0.76 ALDH1A1 (0.42) L3MBTL1ALDH1A1HSD17B10CFTRPSMD14
SCHEMBL7631322 0.76 CNR2 (0.52) L3MBTL1PSMD14KDM4ESTAT3HIF1A
SCHEMBL30301713 0.76 CNR2 (0.52) L3MBTL1PSMD14KDM4ESTAT3HIF1A
SCHEMBL8416022 0.75 ALDH1A1 (0.67) ALDH1A1HSD17B10CFTRPSMD14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 US 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 L3MBTL1 4408/4885ALDH1A1 1267/4885HSD17B10 3400/4885

“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.