SCHEMBL2517122

SCHEMBL2517122

Cc1cc(C(=O)Nc2c[c]ccc2)no1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.63
ALDH1A1 P00352 3/20 0.63
USP2 O75604 1/20 0.63
HSD17B10 Q99714 1/20 0.61
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
TP53 P04637 2/20 0.61
HTT P42858 2/20 0.61
GLA P06280 1/20 0.61
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
MAPT P10636 4/20 0.55
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 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
SCHEMBL8266868 0.82 RAB9A (0.77) SMN1; SMN2ALDH1A1USP2HSD17B10NPC1
SCHEMBL8267163 0.82 SMN1; SMN2 (0.88) SMN1; SMN2ALDH1A1USP2HSD17B10NPC1
SCHEMBL8267173 0.80 NPC1 (0.90) SMN1; SMN2ALDH1A1USP2HSD17B10NPC1
SCHEMBL2520746 0.80 TP53 (0.62) SMN1; SMN2ALDH1A1USP2HSD17B10NPC1
SCHEMBL10192041 0.78 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1USP2HSD17B10NPC1
SCHEMBL8267293 0.77 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1USP2HSD17B10NPC1
SCHEMBL2516911 0.77 GFER (0.56) ALDH1A1USP2HSD17B10RAB9ATP53
SCHEMBL10192186 0.76 NPC1 (1.00) SMN1; SMN2ALDH1A1USP2HSD17B10NPC1
SCHEMBL8267156 0.76 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1USP2HSD17B10NPC1
SCHEMBL11534377 0.76 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1USP2HSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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 (4 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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 SMN1; SMN2 4445/4885ALDH1A1 182/4885USP2 4487/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 SMN1; SMN2 4445/4885ALDH1A1 182/4885USP2 4487/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 SMN1; SMN2 4445/4885ALDH1A1 182/4885USP2 4487/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 SMN1; SMN2 4469/4885ALDH1A1 208/4885USP2 4425/4885

“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.