SCHEMBL22833338

SCHEMBL22833338

CCOC(=O)c1ccc(O)nc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 1/20 0.46
CASP1 P29466 1/20 0.46
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43

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
SCHEMBL29550931 0.85 TSHR (0.52) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL3583155 0.85 TSHR (0.52) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL422881 0.85 TSHR (0.52) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL28704375 0.83 TSHR (0.50) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL31618845 0.83 TSHR (0.50) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL1017506 0.83 KDM4E (0.55) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL11866736 0.83 TSHR (0.53) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL7958076 0.82 TSHR (0.49) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL13072040 0.82 TSHR (0.49) ALDH1A1KDM4ECA12CA1CA2
Hydrochloric Acid SCHEMBL30639526 0.81 KDM4E (0.54) ALDH1A1KDM4ECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114040911-B As NAV1.8 2, 3-Dihydro-quinazoline Compounds as inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-10-22 CN disclosed
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-06 US disclosed
EP-3990436-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2022-05-04 EP disclosed
CN-114040911-A As NAV1.8 inhibitors of 2, 3-dihydroquinazoline compounds 葛兰素史密斯克莱知识产权发展有限公司 2022-02-11 CN disclosed
WO-2020261114-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-30 WO disclosed
WO-2020261114-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-30 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 (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-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN1A, SCN1B ALDH1A1 3102/4885KDM4E 3392/4885CA12 4102/4885

“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.