SCHEMBL4850586

SCHEMBL4850586

Cc1oc(-c2cccc([N+](=O)[O-])c2)nc1CCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
NPC1 O15118 7/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ELANE P08246 1/20 0.51
PPARG P37231 1/20 0.50
PSMB8 P28062 1/20 0.49
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45

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
SCHEMBL27635170 0.85 PPARG (0.55) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL27635303 0.81 PPARG (0.56) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4850992 0.80 L3MBTL1 (0.50) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1436140 0.79 MAPT (0.49) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL11620457 0.79 RAB9A (0.51) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1436230 0.78 MAPT (0.56) NPC1MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL5103142 0.77 RXFP1 (0.52) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12163868 0.77 KDM4E (0.50) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL9721971 0.76 KDR (0.64) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4425438 0.76 NOTUM (0.48) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 RAB9A 1036/4885NPC1 822/4885MAPT 4700/4885

“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.