SCHEMBL2804262

SCHEMBL2804262

O=C(Nc1ccc2c(c1)OCO2)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 5/20 0.51
POLB P06746 2/20 0.51
TSHR P16473 2/20 0.51
NAMPT P43490 1/20 0.48
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 3/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
LIMK1 P53667 1/20 0.44
LIMK2 P53671 1/20 0.44
FAAH O00519 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
SCHEMBL2805191 0.88 FAAH (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL2803935 0.84 NPC1 (0.58) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL2805093 0.83 PAK1 (0.44) NPC1RAB9A
SCHEMBL2804559 0.83 TRPV1 (0.46) NPC1RAB9ANPSR1KDM4E
SCHEMBL12342043 0.82 MEN1 (0.55) MAPTNAMPTLMNAMAPK1MEN1
SCHEMBL2486602 0.82 RAB9A (0.55) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL2805547 0.81 TRPV1 (0.56) SMN1; SMN2MAPTNAMPTALDH1A1NPSR1
SCHEMBL2803705 0.81 MAPT (0.51) MAPTLMNA
SCHEMBL2803952 0.81 TRPV1 (0.56) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL2805002 0.81 PAK1 (0.60) SMN1; SMN2MAPTTSHRALDH1A1NPC1

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 SMN1; SMN2 1523/4885MAPT 3332/4885POLB 1060/4885

“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.