SCHEMBL724591

SCHEMBL724591

FC(F)(F)c1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.71
DGAT1 O75907 4/20 0.68
KCNH2 Q12809 4/20 0.68
KDM4E B2RXH2 6/20 0.68
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
NPBWR1 P48145 3/20 0.68
GAA P10253 1/20 0.66
ALDH1A1 P00352 5/20 0.65
PKN1 Q16512 1/20 0.65
PKN2 Q16513 1/20 0.65
TNKS O95271 1/20 0.64
WNT3A P56704 1/20 0.64
TNKS2 Q9H2K2 1/20 0.64
TP53 P04637 2/20 0.63
HSD17B10 Q99714 2/20 0.63
HPGD P15428 2/20 0.63
POLB P06746 1/20 0.63
MAPT P10636 1/20 0.63

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
SCHEMBL29784963 1.00 HDAC6 (0.71) HDAC6DGAT1KCNH2KDM4ENPC1
SCHEMBL3919774 0.91 CHEK2 (0.62) HDAC6DGAT1KCNH2KDM4ENPC1
SCHEMBL29386825 0.86 NPC1 (0.88) HDAC6KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2178266 0.86 NPC1 (0.88) HDAC6KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL17393433 0.85 LMNA (0.55) HDAC6DGAT1KCNH2KDM4ENPC1
SCHEMBL24347819 0.85 NPBWR1 (0.61) HDAC6DGAT1KCNH2KDM4ENPC1
SCHEMBL24295036 0.84 NPC1 (0.84) HDAC6KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6755306 0.83 HDAC6 (1.00) HDAC6KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL29391436 0.83 HDAC6 (1.00) HDAC6KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18979386 0.83 HDAC6 (1.00) HDAC6KDM4ENPC1RAB9ASMN1; SMN2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148910-A1 HYDROPORPHYRIN-DOPED NEAR-INFRARED-EMITTING POLYMER DOTS FOR CELLULAR FLUORESCENCE IMAGING UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2024-05-09 US disclosed
US-20230192626-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-06-22 US disclosed
US-20230192626-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-06-22 US disclosed
US-20230192626-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-06-22 US disclosed
WO-2022252404-A1 FLUOROSULFONYL FREE RADICAL REAGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 福州大学 2022-12-08 WO disclosed
US-20220047554-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS UNIVERSITY OF VIRGINIA 2022-02-17 US disclosed
WO-2021242790-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2021-12-02 WO disclosed
US-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-09-30 US disclosed
US-11111217-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-09-07 US disclosed
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
CN-106946877-B A kind of preparation method and the compound of nitrogenous fused heterocyclic compound 沈阳师范大学 2019-05-24 CN disclosed
WO-2018140504-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS PATEL MANOJ K (US) 2018-08-02 WO disclosed
CN-106946877-A The preparation method and the compound of a kind of nitrogenous fused heterocyclic compound 沈阳师范大学 2017-07-14 CN disclosed
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-09-18 US disclosed
WO-2013074059-A2 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-05-23 WO disclosed
US-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
US-3953600-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1976-04-27 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 (7 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-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD HDAC6 91/4885DGAT1 800/4885KCNH2 4036/4885
US-20230192626-A1 NOVEL SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHOD OF USE THEREOF EPHX1, EPHX2, NCEH1 HDAC6 3793/4885DGAT1 563/4885KCNH2 4351/4885
US-11090289-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B HDAC6 937/4885DGAT1 2135/4885KCNH2 61/4885
US-11111217-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases PPARG, PPARA, PPARD HDAC6 107/4885DGAT1 386/4885KCNH2 4569/4885
US-20220047554-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS SCN3A, SCN1B, SCN2B HDAC6 937/4885DGAT1 2135/4885KCNH2 61/4885
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION CDA, DCTD, ADA HDAC6 3587/4885DGAT1 1681/4885KCNH2 4197/4885
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 HDAC6 240/4885DGAT1 4846/4885KCNH2 1550/4885

“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.