SCHEMBL19360375

SCHEMBL19360375

COC(=O)c1ccc2[nH]c(Cc3ccc(C(F)(F)F)cc3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
F2 P00734 1/20 0.44
PLD2 O14939 1/20 0.44
PLD1 Q13393 1/20 0.44
KIF11 P52732 1/20 0.43
IDH1 O75874 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
SRD5A2 P31213 1/20 0.41
NOTUM Q6P988 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
KLKB1 P03952 1/20 0.40
MAP4K1 Q92918 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL12096643 0.93 KLKB1 (0.44) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL18440581 0.89 HRH3 (0.48) KDM4EALDH1A1F2KLKB1MAP4K1
SCHEMBL19360324 0.88 F2 (0.45) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL19360603 0.87 MRGPRX4 (0.49) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL18440586 0.85 SRD5A2 (0.55) L3MBTL1F2PLD2PLD1KDM5A
SCHEMBL19360455 0.85 MET (0.48) KDM4EALDH1A1L3MBTL1F2SMN1; SMN2
SCHEMBL19360318 0.84 F2 (0.46) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL6993438 0.84 SMN1; SMN2 (0.52) KDM4EALDH1A1LMNAL3MBTL1F2
SCHEMBL978722 0.84 F2 (0.62) KDM4ELMNAF2KIF11NPC1
SCHEMBL19360398 0.84 HTT (0.45) KDM4EALDH1A1LMNAHTTL3MBTL1

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
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
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-20200131123-A1 INDOLE-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-04-30 US disclosed
CN-109952298-A Indole carboxamides analog derivative, preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2019-06-28 CN 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-20200131123-A1 INDOLE-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE TPH1, TPH2, PAH KDM4E 305/4885ALDH1A1 694/4885LMNA 3506/4885

“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.