SCHEMBL8081283

SCHEMBL8081283

Cc1cc(O)c(C(=O)CBr)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 3/20 0.41
GPR35 Q9HC97 2/20 0.40
ALDH1A1 P00352 5/20 0.39
GSK3B P49841 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SNCA P37840 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL1806976 0.84 TSHR (0.46) MEN1KMT2ATSHRALDH1A1GSK3B
SCHEMBL28991123 0.81 TTR (0.40) MEN1KMT2ARAB9ATSHRGPR35
SCHEMBL30512085 0.80 TSHR (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1429577 0.80 TSHR (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3224523 0.80 TSHR (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL27530400 0.79 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5970689 0.76 PDGFRB (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7937707 0.75 SNCA (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL29510944 0.75 SNCA (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL799388 0.74 GPR35 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 MEN1 827/4885KMT2A 1721/4885SMN1; SMN2 3693/4885

“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.