SCHEMBL4607599

SCHEMBL4607599

Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.73
NPC1 O15118 5/20 0.73
ALDH1A1 P00352 5/20 0.73
MAPT P10636 4/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
KDM4E B2RXH2 1/20 0.63
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
CA13 Q8N1Q1 2/20 0.61
PSMB8 P28062 1/20 0.56
GUSB P08236 1/20 0.56
LMNA P02545 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ELANE P08246 1/20 0.51
POLB P06746 2/20 0.51
HSP90AA1 P07900 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7531870 0.85 NPC1 (0.78) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10245542 0.84 NPC1 (1.00) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9029579 0.82 NPC1 (0.69) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2837185 0.82 RAB9A (0.73) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29006444 0.82 NPC1 (0.73) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28372775 0.82 NPC1 (0.73) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30362152 0.82 NPC1 (0.73) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14541545 0.81 NPC1 (0.68) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16636349 0.81 NPC1 (0.68) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4464247 0.81 NPC1 (0.68) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2

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-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO disclosed
US-4824843-A Substituted amide inhibitors of cholesterol absorption WARNER-LAMBERT COMPANY (US) 1989-04-25 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 RAB9A 2140/4885NPC1 848/4885ALDH1A1 906/4885

“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.