SCHEMBL5657576

SCHEMBL5657576

CC(=O)c1ccc(NC(=O)Nc2ccc3ncccc3c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.78
MAPT P10636 5/20 0.78
POLB P06746 4/20 0.78
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
RAB9A P51151 10/20 0.64
NAMPT P43490 1/20 0.64
PABPC1 P11940 1/20 0.61
ALDH1A1 P00352 3/20 0.56
TP53 P04637 1/20 0.56
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
TAAR1 Q96RJ0 1/20 0.55
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.55
PLK1 P53350 1/20 0.55
CCNE1 P24864 1/20 0.53

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
SCHEMBL651929 0.89 NPC1 (1.00) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL31054249 0.89 NPC1 (1.00) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL5658310 0.86 NPC1 (0.88) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL28830841 0.84 NPC1 (0.74) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL359531 0.84 ALOX15 (0.69) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL29924709 0.84 ALOX15 (0.69) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL5658555 0.84 NPC1 (0.78) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL5655823 0.83 NPC1 (0.88) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL28830798 0.83 MAPT (0.67) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL1538297 0.83 NPC1 (0.77) NPC1MAPTPOLBMEN1KMT2A

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 4 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
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 NPC1 959/4885MAPT 4195/4885POLB 3281/4885

“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.