Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804159

SCHEMBL2804159

SCHEMBL2804159

O=C(Nc1ccccc1)N1CCc2c(cnc3[nH]nc(-c4cccc(C(F)(F)F)c4)c23)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.49
▸ FAAH O00519 2/20 0.45
▸ NAMPT P43490 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ ROCK2 O75116 2/20 0.45
▸ PDGFRB P09619 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GPR142 Q7Z601 1/20 0.42
▸ DGAT2 Q96PD7 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ LIMK2 P53671 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ EP300 Q09472 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 0.89 NPC1 (0.51) TRPV1NAMPTROCK2PDGFRBSMN1; SMN2
SCHEMBL2805115 0.85 NPC1 (0.53) TRPV1FAAHNAMPTNPC1RAB9A
SCHEMBL2803991 0.85 NAMPT (0.44) TRPV1NAMPTROCK2PDGFRBSMN1; SMN2
SCHEMBL2804580 0.82 FAAH (0.47) TRPV1FAAHNAMPTROCK2PDGFRB
SCHEMBL2805950 0.80 NAMPT (0.47) FAAHNAMPTROCK2PDGFRBSMN1; SMN2
SCHEMBL2488267 0.79 NPC1 (0.47) NAMPTROCK2PDGFRBSMN1; SMN2NPC1
SCHEMBL2804192 0.78 ROCK2 (0.43) NAMPTROCK2PDGFRBSMN1; SMN2NPC1
SCHEMBL2803761 0.78 RAB9A (0.52) TRPV1NAMPTROCK2PDGFRBSMN1; SMN2
SCHEMBL2809284 0.78 NPC1 (0.46) TRPV1FAAHNAMPTROCK2PDGFRB
SCHEMBL12316013 0.78 NAMPT (0.52) NAMPTROCK2PDGFRBSMN1; SMN2NPC1

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 1732/4885FAAH 3078/4885NAMPT 212/4885

“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.