SCHEMBL21929295

SCHEMBL21929295

O=C(O)c1cc2cc(Cc3ccc(Cl)cc3C(F)(F)F)n(C3CC3)c2cc1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.53
ENPP2 Q13822 1/20 0.39
C5AR1 P21730 2/20 0.38
ESRRA P11474 1/20 0.37
POLQ O75417 1/20 0.36
CHRM1 P11229 2/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
GRIK1 P39086 1/20 0.34
P2RX7 Q99572 1/20 0.33
RBP4 P02753 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GLP1R P43220 1/20 0.33

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
SCHEMBL20635394 0.89 RORC (0.54) RORCENPP2C5AR1ESRRAPOLQ
SCHEMBL19360314 0.84 RORC (0.65) RORCENPP2C5AR1ESRRAPOLQ
SCHEMBL28797802 0.82 RORC (0.44) RORCPOLQPPARGGRIK1GLP1R
SCHEMBL21925043 0.82 RORC (0.52) RORCPOLQPPARGPPARDPPARA
SCHEMBL21925046 0.79 RORC (0.48) RORC
SCHEMBL20636002 0.78 RORC (0.49) RORC
SCHEMBL21877834 0.78 RORC (0.62) RORC
SCHEMBL20635530 0.78 RORC (0.62) RORC
SCHEMBL19360312 0.77 RORC (0.66) RORCESRRARBP4
SCHEMBL19360581 0.75 RORC (0.53) RORCP2RX7RBP4

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 RORC 2084/4885ENPP2 4194/4885C5AR1 4308/4885

“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.