SCHEMBL19360436

SCHEMBL19360436

O=C(O)c1ccc2c(c1)cc(Cc1ccccc1C(F)(F)F)n2C1CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.51
EPHX2 P34913 4/20 0.41
KIF11 P52732 3/20 0.41
TTR P02766 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
C5AR1 P21730 2/20 0.39
RBP4 P02753 1/20 0.39
IDH1 O75874 1/20 0.39
PPARG P37231 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL30076092 0.91 RORC (0.45) RORCEPHX2KIF11TTRKDM4E
SCHEMBL19360581 0.89 RORC (0.53) RORCEPHX2TTRRBP4IDH1
SCHEMBL19360314 0.88 RORC (0.65) RORCC5AR1PPARG
SCHEMBL30076050 0.88 RORC (0.52) RORCEPHX2KIF11ALDH1A1RBP4
SCHEMBL19360425 0.88 RORC (0.52) RORCEPHX2KIF11ALDH1A1RBP4
SCHEMBL19360540 0.82 RORC (0.45) RORCEPHX2KDM4EALDH1A1IDH1
SCHEMBL18440466 0.81 IDH1 (0.49) RORCIDH1L3MBTL1
SCHEMBL19360521 0.80 RORC (0.48) RORCEPHX2KIF11ALDH1A1PPARG
SCHEMBL19360368 0.79 RORC (0.63) RORCEPHX2KIF11PPARG
SCHEMBL19360442 0.78 RORC (0.83) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109963836-B Deuterium atom substituted indole carboxamide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed
CN-107531679-B Aromatic amide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-07-02 CN disclosed
US-20200277278-A1 Deuterium Atom-Substituted Indole Formamide Derivative, Preparation Method Therefor, and Medical Applications Thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-09-03 US disclosed
US-20200277278-A1 Deuterium Atom-Substituted Indole Formamide Derivative, Preparation Method Therefor, and Medical Applications Thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-09-03 US disclosed
EP-3683206-A1 DEUTERIUM ATOM-SUBSTITUTED INDOLE FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATIONS THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2020-07-22 EP disclosed
CN-109963836-A Indole carboxamides analog derivative, preparation method and its application in medicine that D-atom replaces 江苏恒瑞医药股份有限公司 2019-07-02 CN disclosed
WO-2019052440-A1 DEUTERIUM ATOM-SUBSTITUTED INDOLE FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATIONS THEREOF 江苏恒瑞医药股份有限公司 2019-03-21 WO disclosed
CN-107531679-A Aromatic amides analog derivative, its preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2018-01-02 CN disclosed
WO-2017157332-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATIONS THEREOF 江苏恒瑞医药股份有限公司 2017-09-21 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-20200277278-A1 Deuterium Atom-Substituted Indole Formamide Derivative, Preparation Method Therefor, and Medical Applications Thereof RORA, RORB, RORC RORC 3/4885EPHX2 2726/4885KIF11 562/4885

“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.