SCHEMBL6794948

SCHEMBL6794948

O=C(NNc1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.45
TNF P01375 1/20 0.45
PLA2G1B P04054 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK8 P45983 2/20 0.42
CNR1 P21554 3/20 0.42
CNR2 P34972 3/20 0.42
TP53 P04637 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 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
SCHEMBL6794947 0.77 NPC1 (0.44) RAB9ANPC1KMT2AMEN1TNF
SCHEMBL6797484 0.77 POLB (0.72) RAB9AKMT2AMEN1SMN1; SMN2POLB
SCHEMBL29499010 0.75 NPC1 (0.58) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9952997 0.72 ALDH1A1 (0.55) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9954184 0.71 POLB (0.47) RAB9AKMT2AMEN1POLBLMNA
SCHEMBL9954352 0.67 SMN1; SMN2 (0.66) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL9954454 0.66 MEN1 (0.41) RAB9AKMT2AMEN1SMN1; SMN2POLB
SCHEMBL9952928 0.65 KMT2A (0.53) RAB9AKMT2AMEN1POLBALDH1A1
SCHEMBL12789801 0.65 MEN1 (0.64) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL29499005 0.65 NPC1 (0.64) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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 RAB9A 2106/4885NPC1 2456/4885KMT2A 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.