SCHEMBL25529191

SCHEMBL25529191

CC(C)(C)OC(=O)Nc1ccc(Br)c(SC2COC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
PRKDC P78527 1/20 0.39
RORC P51449 7/20 0.37
PSMB8 P28062 1/20 0.37
CHRM1 P11229 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
BCL2 P10415 1/20 0.36
BECN1 Q14457 1/20 0.36
CYP17A1 P05093 1/20 0.36
MMP8 P22894 2/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL25526919 0.89 CA12 (0.42) CA12CA1CA9RORCPSMB8
SCHEMBL25529597 0.87 CA12 (0.43) CA12CA1CA9RORCCHRM1
SCHEMBL6154023 0.81 CA12 (0.45) CA12CA1CA9PSMB8HDAC3
SCHEMBL28913038 0.80 HCRTR1 (0.39) CA12CA1CA9HCRTR1HCRTR2
SCHEMBL25529190 0.78 HCRTR1 (0.47) CA12CA1CA9HCRTR1HCRTR2
SCHEMBL25529192 0.78 CA12 (0.41) CA12CA1CA9HCRTR1HCRTR2
SCHEMBL25525987 0.78 CA12 (0.43) CA12CA1CA9PSMB8HDAC3
SCHEMBL25526832 0.78 CA12 (0.43) CA12CA1CA9PSMB8HDAC3
SCHEMBL29973561 0.78 CA12 (0.43) CA12CA1CA9PSMB8HDAC3
SCHEMBL2178849 0.74 ALDH1A1 (0.56) CA12CA1CA9

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
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
CN-115814095-A Combination of RAD51 inhibitors and anti-cancer therapeutics 江苏先声药业有限公司 2023-03-21 CN disclosed
CN-115707702-A Crystal forms of RAD51 inhibitor compounds and uses thereof 江苏先声药业有限公司 2023-02-21 CN disclosed
EP-4108663-A1 SUBSTITUTED ARYL COMPOUND Simcere Pharmaceutical Co., Ltd. (CN) 2022-12-28 EP disclosed
CN-115315423-A Substituted aryl compounds 先声药业有限公司 2022-11-08 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 (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-20230142274-A1 SUBSTITUTED ARYL COMPOUND RAD51, FANCI, BLM CA12 4875/4885CA1 4865/4885CA9 4657/4885

“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.