Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804674

SCHEMBL2804674

SCHEMBL2804674

O=C(Nc1cccc(Oc2ccccc2)c1)N1CCc2c(cnc3[nH]nc(Br)c23)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRS3 P32247 1/20 0.50
▸ NPC1 O15118 6/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ GPR142 Q7Z601 1/20 0.46
▸ FAAH O00519 6/20 0.43
▸ GOT1 P17174 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ S1PR2 O95136 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PDGFRB P09619 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL2486919 0.90 NPC1 (0.58) NPC1RAB9AGPR142FAAHSMN1; SMN2
SCHEMBL2803761 0.89 RAB9A (0.52) NPC1RAB9ATRPV1TP53SMN1; SMN2
SCHEMBL2803893 0.87 NPC1 (0.42) BRS3NPC1RAB9AGPR142FAAH
SCHEMBL2806247 0.83 PDGFRB (0.52) BRS3NPC1RAB9AGPR142FAAH
SCHEMBL2805744 0.79 PDGFRB (0.48) BRS3NPC1RAB9AGPR142FAAH
SCHEMBL2802543 0.78 MAPT (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2511773 0.78 MAPT (0.43) NPC1RAB9ATP53
SCHEMBL2805115 0.78 NPC1 (0.53) NPC1RAB9AFAAHTRPV1THRB
SCHEMBL2512524 0.77 NPC1 (0.51) NPC1RAB9ATRPV1TP53SMN1; SMN2
SCHEMBL2483716 0.77 BRS3 (0.47) BRS3NPC1RAB9AGPR142FAAH

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 BRS3 2730/4885NPC1 205/4885RAB9A 1240/4885

“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.