SCHEMBL4098506

SCHEMBL4098506

CO/C=C\c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ATM Q13315 1/20 0.62
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
NFE2L2 Q16236 2/20 0.46
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
GRM4 Q14833 1/20 0.44
NR4A1 P22736 1/20 0.44
MAOA P21397 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL4082404 1.00 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4082402 1.00 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL32665689 0.82 NPC1 (0.68) NPC1RAB9AMEN1KMT2AATM
SCHEMBL303388 0.80
Methyl Alcohol SCHEMBL28478479 0.79 NPC1 (0.89) NPC1RAB9AMEN1KMT2AATM
SCHEMBL229329 0.78 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL229328 0.78 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL31560044 0.78 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9394256 0.78 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4380612 0.78 NPC1 (0.56) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114156533-B Lithium ion battery gel electrolyte and preparation method of lithium ion battery 河南电池研究院有限公司 2022-04-22 CN claimed
CN-114156533-A Lithium ion battery gel electrolyte and preparation method of lithium ion battery 河南电池研究院有限公司 2022-03-08 CN claimed
CN-114156533-B Lithium ion battery gel electrolyte and preparation method of lithium ion battery 河南电池研究院有限公司 2022-04-22 CN disclosed
CN-114156533-A Lithium ion battery gel electrolyte and preparation method of lithium ion battery 河南电池研究院有限公司 2022-03-08 CN disclosed
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 US disclosed
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US disclosed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP disclosed
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 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 (2 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-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT NPC1 1559/4885RAB9A 2237/4885MEN1 3423/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 NPC1 498/4885RAB9A 2154/4885MEN1 1000/4885

“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.