SCHEMBL2805679

SCHEMBL2805679

O=C(Nc1cccc([N+](=O)[O-])c1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.63
KMT2A Q03164 9/20 0.63
NPC1 O15118 7/20 0.63
RAB9A P51151 7/20 0.63
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 3/20 0.49
ALDH1A1 P00352 3/20 0.49
PDGFRB P09619 1/20 0.47
ATM Q13315 1/20 0.46
LMNA P02545 3/20 0.46
GFER P55789 1/20 0.46
PAK1 Q13153 1/20 0.45
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
MET P08581 1/20 0.43
POLB P06746 4/20 0.42
CTDSP1 Q9GZU7 2/20 0.42
DDX3X O00571 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL2805561 0.86 KDR (0.51) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2806010 0.86 TRPV1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2803952 0.86 TRPV1 (0.56) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL2805002 0.86 PAK1 (0.60) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2486602 0.85 RAB9A (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2487737 0.85 NPC1 (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2806850 0.85 RAB9A (0.60) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2802299 0.83 NPC1 (0.61) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL2802923 0.83 TRPV1 (0.58) MAPTHTTPDGFRBLMNAPAK1
SCHEMBL2488604 0.83 BRAF (0.52) MEN1KMT2ANPC1RAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 MEN1 1822/4885KMT2A 1795/4885NPC1 205/4885

“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.