SCHEMBL21933182

SCHEMBL21933182

COC(=O)c1cc2cc(CO[Si](C)(C)C(C)(C)C)n(CCF)c2cc1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.33
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20635375 0.81 KDM4E (0.34) PTGER4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20635504 0.81 TP53 (0.34) ALDH1A1HPGDHSD17B10
SCHEMBL20635376 0.74 GAA (0.33) PTGER4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29654030 0.74 RORC (0.42) ALDH1A1HPGDHSD17B10
SCHEMBL28797832 0.74 RORC (0.42) ALDH1A1HPGDHSD17B10
SCHEMBL20635537 0.71 RORC (0.53) KDM4EALDH1A1
SCHEMBL20635378 0.71 NPC1 (0.32) KDM4EALDH1A1
SCHEMBL15543439 0.70 SCN9A (0.41)
SCHEMBL17179792 0.68 CTNNB1 (0.43) KDM4EALDH1A1HSD17B10
SCHEMBL25934717 0.68 MMP2 (0.35) KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952298-B Indole carboxamide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-09-03 CN disclosed
US-20200131123-A1 INDOLE-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-04-30 US 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-20200131123-A1 INDOLE-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE TPH1, TPH2, PAH PTGER4 1421/4885PARP1 2375/4885PARP2 2698/4885

“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.