SCHEMBL6794947

SCHEMBL6794947

NN(C(=O)C1CCCC1)c1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 4/20 0.44
CYP3A4 P08684 1/20 0.43
DPP4 P27487 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 1/20 0.41
TNF P01375 1/20 0.41
PLA2G1B P04054 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 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
SCHEMBL6794948 0.77 RAB9A (0.51) NPC1RAB9AKMT2ACYP3A4DPP4
SCHEMBL29499010 0.75 NPC1 (0.58) NPC1RAB9AKMT2ACYP3A4DPP4
SCHEMBL9952997 0.72 ALDH1A1 (0.55) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6797484 0.70 POLB (0.72) RAB9AKMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL12789801 0.65 MEN1 (0.64) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL29499005 0.65 NPC1 (0.64) NPC1RAB9AKMT2ACYP3A4SMN1; SMN2
SCHEMBL9954631 0.64 KMT2A (0.46) KMT2ACYP3A4SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL1064761 0.64 HDAC1 (0.79) NPC1KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL31241042 0.64 MAPK8 (0.47) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL9953607 0.63 KMT2A (0.58) KMT2ACYP3A4ALDH1A1CYP1A2GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747035-B2 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS WARNER-LAMBERT LLC 2004-06-08 US disclosed
EP-1419159-A1 1-ALKYL 0R 1-CYCLOALKYLTRIAZOLO 4,3-A]QUINAZOLIN-5-ONES AS PHOSPHODIESTERASE INHIBITORS Warner-Lambert Company LLC (US) 2004-05-19 EP disclosed
US-20030069260-A1 1-alkyl or 1-cycloalkyltriazolo[4,3-a]quinazolin-5-ones as phosphodiesterase inhibitors GUADILLIERE BERNARD (FR) 2003-04-10 US disclosed
WO-2003016314-A1 1-ALKYL 0R 1-CYCLOALKYLTRIAZOLO[4,3-A]QUINAZOLIN-5-ONES AS PHOSPHODIESTERASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-02-27 WO disclosed
EP-1285922-A1 1-Alkyl or 1-cycloalkyltriazolo[4,3-a]quinazolin-5-ones as phosphodiesterase inhibitors WARNER-LAMBERT COMPANY (US) 2003-02-26 EP 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-20030069260-A1 1-alkyl or 1-cycloalkyltriazolo[4,3-a]quinazolin-5-ones as phosphodiesterase inhibitors PDE3A, PDE4A, PDE5A NPC1 2456/4885RAB9A 2106/4885KMT2A 2500/4885

“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.