SCHEMBL5436712

SCHEMBL5436712

FC(F)(F)c1ccc(Cl)c(CCl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 3/20 0.43
KCNH2 Q12809 3/20 0.43
PDE2A O00408 1/20 0.42
ALDH1A1 P00352 4/20 0.41
IDO1 P14902 1/20 0.41
TRAP1 Q12931 3/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90B1 P14625 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DAO P14920 1/20 0.39
PIEZO1 Q92508 1/20 0.39
MCL1 Q07820 1/20 0.38
TP53 P04637 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL10656350 0.85 SLC6A4 (0.48) SLC6A4SLC6A2HTR2AKCNH2PDE2A
SCHEMBL3211500 0.83 DAO (0.49) SLC6A4HTR2AKCNH2PDE2AALDH1A1
SCHEMBL11537101 0.83 IDO1 (0.43) SLC6A4HTR2AKCNH2PDE2AIDO1
SCHEMBL5235367 0.82 ALDH1A1 (0.43) SLC6A4SLC6A2HTR2AKCNH2PDE2A
SCHEMBL29594772 0.82 SLC6A4 (0.46) SLC6A4SLC6A2HTR2AKCNH2PDE2A
SCHEMBL6152782 0.82 IDO1 (0.43) SLC6A4SLC6A2HTR2AKCNH2PDE2A
SCHEMBL10050765 0.82 SLC6A4 (0.46) SLC6A4SLC6A2HTR2AKCNH2PDE2A
SCHEMBL856434 0.82 PNMT (0.43) SLC6A4SLC6A2HTR2AKCNH2PDE2A
SCHEMBL146337 0.82 SLC6A4 (0.43) SLC6A4SLC6A2HTR2AKCNH2PDE2A
SCHEMBL5500906 0.82 IDO1 (0.43) SLC6A4SLC6A2HTR2AKCNH2PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
CN-105793238-B Substituted benzamides and methods of use thereof 基因泰克公司 2019-12-24 CN disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
CN-105793238-A Substituted benzamides and methods of use thereof 基因泰克公司 2016-07-20 CN disclosed
CN-103570499-B A kind of preparation method of 2-halogeno-5-trifluoromethyl benzyl alcohol ZHEJIANG YONGTAI TECHNOLOGY CO., LTD. (CN) 2016-04-13 CN disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
CN-102372605-A Preparation method of 2-halogenated-5-trifluoromethyl benzyl alcohol compound ZHEJIANG YONGTAI TECHNOLOGY CO LTD 2012-03-14 CN disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
EP-0084128-B1 PROCESS FOR THE PREPARATION OF ALKYLBENZENES SUBSTITUTED BY RADICALS CONTAINING FLUORINE BAYER AG (DE) 1987-01-21 EP disclosed
EP-0009787-B2 PROCESS FOR THE MONOHALOGENATION OF ALKYLBENZENES IN ALPHA POSITION BAYER AG (DE) 1986-07-09 EP disclosed
US-4431808-A ANTIDEPRESSANTS; TRANQUILIZERS; NEUROLEPTIC AGENTS SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1984-02-14 US disclosed
EP-0084128-A1 Process for the preparation of alkylbenzenes substituted by radicals containing fluorine BAYER AG (DE) 1983-07-27 EP disclosed
US-4343647-A Substituted benzyltrialkylammonium salts and their use as plant growth regulatory control agents THE DOW CHEMICAL COMPANY (US) 1982-08-10 US disclosed
US-4331821-A ULTRAVIOLET RADIATION OF A VAPORIZED ALKYLBENZEN AND HALOGEN GAS MIXTURE BAYER AKTIENGESELLSCHAFT (DE) 1982-05-25 US disclosed
EP-0009787-B1 PROCESS FOR THE MONOHALOGENATION OF ALKYLBENZENES IN ALPHA POSITION BAYER AG (DE) 1982-01-13 EP disclosed
EP-0009787-A2 Process for the monohalogenation of alkylbenzenes in alpha position BAYER AG (DE) 1980-04-16 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 (5 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-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 SLC6A4 1222/4885SLC6A2 1283/4885HTR2A 294/4885
US-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR SLC6A4 644/4885SLC6A2 883/4885HTR2A 2556/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 SLC6A4 1432/4885SLC6A2 1679/4885HTR2A 205/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR SLC6A4 661/4885SLC6A2 927/4885HTR2A 376/4885
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 SLC6A4 1222/4885SLC6A2 1283/4885HTR2A 294/4885

“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.