SCHEMBL6795645

SCHEMBL6795645

O=C(Nc1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nnc(C3CCCC3)n21)C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 7/20 0.49
TP53 P04637 5/20 0.49
LMNA P02545 4/20 0.49
TSHR P16473 3/20 0.49
POLB P06746 2/20 0.49
HPGD P15428 2/20 0.49
NFKB1 P19838 1/20 0.49
HTT P42858 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
RXFP1 Q9HBX9 2/20 0.43
MAPT P10636 3/20 0.43
PLK1 P53350 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 4/20 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
SCHEMBL6795111 0.90 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL6797503 0.89 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL6802244 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL6796438 0.81 PLK1 (0.48) NPC1TP53LMNATSHRHPGD
SCHEMBL6797644 0.81 RXFP1 (0.42) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL6796357 0.79 RXFP1 (0.42) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL6796389 0.75 PDE1A (0.40) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL6795642 0.75 L3MBTL1 (0.40) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL7045495 0.74 L3MBTL1 (0.39) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL6791736 0.74 TP53 (0.60) NPC1RAB9ASMN1; SMN2TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747035-B2 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS WARNER-LAMBERT LLC 2004-06-08 US claimed
US-20030069260-A1 1-alkyl or 1-cycloalkyltriazolo[4,3-a]quinazolin-5-ones as phosphodiesterase inhibitors GUADILLIERE BERNARD (FR) 2003-04-10 US claimed
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 claimed
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 2106/4885SMN1; SMN2 3222/4885

“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.