SCHEMBL9302892

SCHEMBL9302892

Fc1ccc(-c2ccc[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
NR4A2 P43354 1/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
MAPK14 Q16539 2/20 0.37
AXL P30530 1/20 0.37
KEAP1 Q14145 1/20 0.37
GCGR P47871 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
SCHEMBL9419852 0.87 HDAC6 (0.57) HDAC1HDAC6
SCHEMBL25438695 0.81 NOTUM (0.47) HDAC1HDAC6
SCHEMBL380666 0.79
SCHEMBL28691661 0.79 HDAC1 (0.35) HDAC1HDAC6SMN1; SMN2POLBMAPT
SCHEMBL27462334 0.78 HDAC1 (0.50) HDAC1HDAC6ALDH1A1GAAGFER
SCHEMBL80142 0.77 HDAC1 (0.48) HDAC1HDAC6SMN1; SMN2POLBMAPT
Hydrochloric Acid SCHEMBL3824245 0.77 HDAC6 (0.48) HDAC1HDAC6GAAGFER
SCHEMBL1260031 0.76 HDAC1 (0.48) HDAC1HDAC6GSK3AGSK3B
SCHEMBL198093 0.76 CNR1 (0.49) HDAC1HDAC6SMN1; SMN2POLBMAPT
SCHEMBL10035779 0.76 HDAC1 (0.48) HDAC1HDAC6SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391752-A1 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES CHULALONGKORN UNIVERSITY (TH) 2023-12-07 US disclosed
CN-105958011-B Nonaqueous electrolyte secondary battery and positive electrode sheet for same 日东电工株式会社 2020-07-03 CN disclosed
CN-105524046-B The method for preparing azole compounds 武田药品工业株式会社 2019-03-29 CN disclosed
CN-106565582-B Five substituted pyrrole compounds and preparation method thereof 浙江大学 2019-02-19 CN disclosed
CN-108779123-A Fused tetracyclic compound, its composition and purposes 泰博生物科技有限公司 2018-11-09 CN disclosed
CN-108129374-A The method for preparing azole compounds 武田药品工业株式会社 2018-06-08 CN disclosed
CN-107709301-A Pyrazole derivative or pharmacologically acceptable salt thereof 橘生药品工业株式会社 2018-02-16 CN disclosed
CN-106565582-A Penta-substituted pyrrole compound and preparation method thereof 浙江大学 2017-04-19 CN disclosed
CN-102655222-B Light-emitting component 株式会社半导体能源研究所 2016-08-24 CN disclosed
CN-104418787-A 1-(4-fluorophenyl)pyrrole and preparation method thereof TIANJIN HEOWNS BIOCHEMISTRY TECHNOLOGY CO LTD 2015-03-18 CN disclosed
US-5296497-A 3,4-dehydropiperidine derivatives having psychotropic activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1994-03-22 US disclosed
EP-0398413-A1 \"3,4-dehydropiperidine derivatives having psychotropic activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-11-22 EP disclosed
CN-1036565-A DISUBSTITUTED PYRROLES BAYER AG (DE) 1989-10-25 CN disclosed
EP-0289070-A1 Tertiary arylethyl amine derivatives having opiate-antagonistic activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1988-11-02 EP 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-20230391752-A1 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES GLS2, PYGL, CPS1 HDAC1 362/4885HDAC6 380/4885SMN1; SMN2 2157/4885

“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.