SCHEMBL22090396

SCHEMBL22090396

COc1nccc(Br)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CSNK2A1 P68400 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 2/20 0.37
ASPH Q12797 2/20 0.37
KDM8 Q8N371 2/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
SLC13A5 Q86YT5 1/20 0.37

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
SCHEMBL30765070 0.86 CSNK2A1 (0.40) TDP1POLBCA12CA9CSNK2A1
SCHEMBL23112014 0.86 CSNK2A1 (0.40) TDP1POLBCA12CA9CSNK2A1
SCHEMBL16041005 0.83 SMN1; SMN2 (0.49) TDP1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7042463 0.81 CA12 (0.57) TDP1POLBCA12CA1CA2
SCHEMBL27032969 0.80 POLB (0.43) TDP1POLBCA12CA1CA2
SCHEMBL30639556 0.80 POLB (0.43) TDP1POLBCA12CA1CA2
SCHEMBL12794738 0.80 POLB (0.43) TDP1POLBCA12CA1CA2
SCHEMBL1044983 0.79 TDP1 (0.42) TDP1POLBCA12CA1CA2
SCHEMBL30989945 0.79 ALDH1A1 (0.53) TDP1POLBCA12CA1CA2
SCHEMBL23970774 0.79 ALDH1A1 (0.53) TDP1POLBCA12CA1CA2

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
US-20260085056-A1 OX1 RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2026-03-26 US disclosed
US-12331029-B2 Orexin 1 receptor antagonists NXERA PHARMA UK LIMITED (GB) 2025-06-17 US disclosed
WO-2020120994-A1 OREXIN 1 RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2020-06-18 WO disclosed
WO-2020120994-A1 OREXIN 1 RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2020-06-18 WO disclosed
CN-110520423-A AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO 2019-11-29 CN disclosed
CN-110036009-A Substituted pyrrolidines and their use in the treatment of cystic fibrosis 艾伯维公司 2019-07-19 CN disclosed
CN-110035993-A SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS 艾伯维公司 2019-07-19 CN disclosed
CN-106687445-A Pyrazolyl-substituted pyridone compounds as serine protease inhibitors 维颂公司 2017-05-17 CN disclosed
CN-104447716-A Modulators of CFTR VERTEX PHARMA 2015-03-25 CN disclosed
CN-102762548-B Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMA 2014-11-26 CN 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-20260085056-A1 OX1 RECEPTOR ANTAGONISTS CNR1, CNR2, OPRM1 TDP1 1579/4885POLB 4670/4885CA12 1803/4885
US-12331029-B2 Orexin 1 receptor antagonists HCRTR1, HCRTR2, NPY1R TDP1 4237/4885POLB 4802/4885CA12 3917/4885

“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.