SCHEMBL5657895

SCHEMBL5657895

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2ncccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.74
MEN1 O00255 5/20 0.74
KMT2A Q03164 5/20 0.74
MAPT P10636 4/20 0.74
POLB P06746 3/20 0.74
BAZ1A Q9NRL2 2/20 0.67
NAMPT P43490 2/20 0.65
KDR P35968 1/20 0.60
PABPC1 P11940 1/20 0.55
RAB9A P51151 4/20 0.52
PPIF P30405 1/20 0.52
PPIA P62937 1/20 0.52
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MYOC Q99972 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CDK5 Q00535 1/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL30542216 0.89 KDR (0.60) NPC1MEN1KMT2AMAPTPOLB
SCHEMBL651929 0.86 NPC1 (1.00) NPC1MEN1KMT2AMAPTPOLB
SCHEMBL31054249 0.86 NPC1 (1.00) NPC1MEN1KMT2AMAPTPOLB
SCHEMBL5658310 0.84 NPC1 (0.88) NPC1MEN1KMT2AMAPTPOLB
SCHEMBL30503654 0.81 NPC1 (0.57) NPC1MEN1KMT2AMAPTPOLB
SCHEMBL29024929 0.81 NPC1 (0.57) NPC1MEN1KMT2AMAPTPOLB
SCHEMBL5655823 0.81 NPC1 (0.88) NPC1MEN1KMT2AMAPTPOLB
SCHEMBL5661569 0.80 NPC1 (0.81) NPC1MEN1KMT2AMAPTPOLB
SCHEMBL6302158 0.80 MEN1 (0.68) NPC1MEN1KMT2AMAPTPOLB
SCHEMBL5657576 0.79 NPC1 (0.78) NPC1MEN1KMT2AMAPTPOLB

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 959/4885MEN1 4770/4885KMT2A 4465/4885

“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.