SCHEMBL5656486

SCHEMBL5656486

O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2ncccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.74
MAPT P10636 4/20 0.74
POLB P06746 4/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
NAMPT P43490 2/20 0.68
PABPC1 P11940 1/20 0.62
RAB9A P51151 7/20 0.58
ABL1 P00519 3/20 0.56
AXL P30530 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 1/20 0.55
SRC P12931 2/20 0.53
NOTUM Q6P988 1/20 0.53
MCHR1 Q99705 1/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
RAF1 P04049 1/20 0.51
PDGFRA P16234 1/20 0.51
KDR P35968 1/20 0.51

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
SCHEMBL5658310 0.89 NPC1 (0.88) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL5655823 0.86 NPC1 (0.88) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL31054249 0.86 NPC1 (1.00) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL651929 0.86 NPC1 (1.00) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL31054258 0.86 NPC1 (0.77) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL5661569 0.85 NPC1 (0.81) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL13702126 0.85 PABPC1 (0.67) NPC1MAPTPOLBPABPC1RAB9A
SCHEMBL13491675 0.84 NOTUM (0.56) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL3410983 0.84 NPC1 (0.62) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL1681688 0.83 PABPC1 (0.75) 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 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 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.