SCHEMBL2805547

SCHEMBL2805547

COc1ccc(NC(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.51
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NAMPT P43490 2/20 0.48
PAK1 Q13153 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SHMT2 P34897 1/20 0.44
PDGFRB P09619 1/20 0.43

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
SCHEMBL2802688 0.90 FYN (0.50) TRPV1L3MBTL1THRBSMN1; SMN2NAMPT
SCHEMBL2803935 0.86 NPC1 (0.58) TRPV1SMN1; SMN2PAK1ALDH1A1MAPT
SCHEMBL2802299 0.86 NPC1 (0.61) SMN1; SMN2PAK1ALDH1A1MAPT
SCHEMBL2804129 0.85 NAMPT (0.52) TRPV1THRBSMN1; SMN2NAMPTPAK1
SCHEMBL2802871 0.84 LMNA (0.52) NAMPTALDH1A1MEN1MAPTKMT2A
SCHEMBL2805093 0.83 PAK1 (0.44) TRPV1PAK1
SCHEMBL2805561 0.83 KDR (0.51) TRPV1SMN1; SMN2PAK1ALDH1A1MEN1
SCHEMBL2804559 0.83 TRPV1 (0.46) TRPV1PAK1NPSR1PDGFRB
SCHEMBL2489701 0.82 TRPV1 (0.45) TRPV1THRBSMN1; SMN2ALDH1A1MEN1
SCHEMBL2805191 0.82 FAAH (0.45) SMN1; SMN2PAK1ALDH1A1MEN1KMT2A

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-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
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 TRPV1 1732/4885L3MBTL1 4308/4885THRB 4459/4885

“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.