SCHEMBL2805191

SCHEMBL2805191

O=C(Nc1ccc2c(c1)CCO2)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CREBBP Q92793 3/20 0.42
GPR142 Q7Z601 7/20 0.42
CYP2D6 P10635 1/20 0.42
PAK1 Q13153 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL2804262 0.88 SMN1; SMN2 (0.51) FAAHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2803935 0.84 NPC1 (0.58) ALDH1A1SMN1; SMN2PAK1NPC1RAB9A
SCHEMBL2805093 0.83 PAK1 (0.44) PAK1NPC1RAB9A
SCHEMBL2805547 0.82 TRPV1 (0.56) ALDH1A1SMN1; SMN2PAK1MEN1KMT2A
SCHEMBL2804559 0.82 TRPV1 (0.46) PAK1NPC1RAB9A
SCHEMBL12342043 0.81 MEN1 (0.55) CYP2D6PAK1MEN1KMT2A
SCHEMBL2486602 0.81 RAB9A (0.55) ALDH1A1SMN1; SMN2PAK1MEN1KMT2A
SCHEMBL2803705 0.80 MAPT (0.51) GPR142PAK1
SCHEMBL2803952 0.80 TRPV1 (0.56) FAAHALDH1A1SMN1; SMN2GPR142CYP2D6
SCHEMBL2805002 0.80 PAK1 (0.60) FAAHALDH1A1SMN1; SMN2GPR142PAK1

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 FAAH 3078/4885ALDH1A1 460/4885SMN1; SMN2 1523/4885

“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.