SCHEMBL166413

SCHEMBL166413

COc1ccc(F)c(NC(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 4/20 0.54
MAPT P10636 3/20 0.54
F10 P00742 2/20 0.51
IKBKB O14920 2/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HTT P42858 2/20 0.49
GAA P10253 2/20 0.48
VCP P55072 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL21635517 0.85 RAB9A (0.55) RAB9ASMN1; SMN2NPC1MAPTF10
SCHEMBL9615374 0.85 RAB9A (0.58) RAB9ASMN1; SMN2NPC1MAPTF10
SCHEMBL12804435 0.83 MEN1 (0.50) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL9835549 0.83 RAB9A (0.54) RAB9ASMN1; SMN2NPC1MAPTF10
SCHEMBL167053 0.81 GAA (0.67) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL28238289 0.81 KMT2A (0.53) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL3032397 0.80 TDP1 (0.56) MAPTF10IKBKBMEN1KMT2A
Oxalic Acid SCHEMBL20984713 0.79 RAB9A (0.46) RAB9ASMN1; SMN2NPC1MAPTF10
SCHEMBL28278861 0.79 KDM4E (0.51) RAB9ASMN1; SMN2NPC1MAPTNFKB1
SCHEMBL5317475 0.78 ALDH1A1 (0.71) RAB9ASMN1; SMN2NPC1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP claimed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 WO claimed
EP-3652180-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS Dart NeuroScience LLC (US) 2020-05-20 EP disclosed
CN-111094293-A Substituted benzoxazole and benzofuran compounds as PDE7 inhibitors 达特神经科学有限公司 2020-05-01 CN disclosed
WO-2019014305-A1 SUBSTITUTED BENZOXAZOLE AND BENZOFURAN COMPOUNDS AS PDE7 INHIBITORS DART NEUROSCIENCE, LLC (US) 2019-01-17 WO disclosed
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 WO disclosed
US-7429598-B2 Spirocondensed quinazolinones and their use as phosphodiesterase inhibitors WARNER-LAMBERT COMPANY (US) 2008-09-30 US disclosed
CN-1681507-A Spiro-fused quinazolinones and their use as phosphodiesterase inhibitors WARNER LAMBERT CO (US) 2005-10-12 CN disclosed
EP-1542694-A1 NEW SPIROCONDENSED QUINAZOLINONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-22 EP disclosed
US-20040106631-A1 Spirocondensed quinazolinones and their use as phosphodiesterase inhibitors WARNER-LAMBERT COMPANY LLC 2004-06-03 US disclosed
WO-2004026818-A1 NEW SPIROCONDENSED QUINAZOLINONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-04-01 WO disclosed
EP-1400244-A1 New spirocondensed quinazolinones and their use as phosphodiesterase inhibitors Warner-Lambert Company LLC (US) 2004-03-24 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-20040106631-A1 Spirocondensed quinazolinones and their use as phosphodiesterase inhibitors PDE3A, PDE5A, PDE3B RAB9A 883/4885SMN1; SMN2 3200/4885NPC1 1880/4885

“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.