Sugi Predict

Sugi Predict / Compounds / SCHEMBL2809284

SCHEMBL2809284

SCHEMBL2809284

O=C(Nc1ccccc1)N1CCc2c(cnc3[nH]nc(-c4ccc(Cl)cc4Cl)c23)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ TAS1R3 Q7RTX0 3/20 0.45
▸ TAS1R1 Q7RTX1 3/20 0.45
▸ TAS1R2 Q8TE23 3/20 0.45
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NAMPT P43490 4/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ CNR1 P21554 2/20 0.42
▸ TRPV1 Q8NER1 2/20 0.42
▸ FAAH O00519 1/20 0.41

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
SCHEMBL2512524 0.84 NPC1 (0.51) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL2488267 0.84 NPC1 (0.47) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL2803749 0.82 THRB (0.53) NPC1RAB9ATP53SMN1; SMN2NAMPT
SCHEMBL2803761 0.80 RAB9A (0.52) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL12316013 0.79 NAMPT (0.52) NPC1RAB9AMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL2513170 0.78 NAMPT (0.52) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL2805950 0.78 NAMPT (0.47) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL2809552 0.78 RAB9A (0.44) NPC1RAB9AKMT2ATAS1R3TAS1R1
SCHEMBL2803991 0.78 NAMPT (0.44) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL2805115 0.78 NPC1 (0.53) NPC1RAB9AMEN1KMT2ATAS1R3

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 NPC1 205/4885RAB9A 1240/4885CASP3 437/4885

“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.