SCHEMBL17062134

SCHEMBL17062134

Fc1c(Cl)cc(C(F)(F)F)cc1CCl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.38
▸ PKLR P30613 1/20 0.38
▸ GABRB3 P28472 7/20 0.36
▸ GABRA2 P47869 6/20 0.36
▸ GABRB2 P47870 6/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TXNRD1 Q16881 1/20 0.36
▸ TXNRD3 Q86VQ6 1/20 0.36
▸ TXNRD2 Q9NNW7 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ DDR1 Q08345 1/20 0.34
▸ GPR35 Q9HC97 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ GABRP O00591 1/20 0.33

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
SCHEMBL147630 0.82 PKM (0.35) PKMPKLRGABRB3GABRA2GABRB2
SCHEMBL2925876 0.82 PDE2A (0.36) PKMPKLRGABRB3GABRA2GABRB2
SCHEMBL16771000 0.82 ALDH1A1 (0.38) PKMPKLRGABRB3GABRA2GABRB2
SCHEMBL12886699 0.82 GABRB3 (0.42) PKMPKLRGABRB3GABRA2GABRB2
SCHEMBL668872 0.80 PDE2A (0.41) GABRB3GABRA2GABRB2ALDH1A1CYP3A4
SCHEMBL20303476 0.79 IDO1 (0.41) PKMPKLRGABRB3GABRA2GABRB2
SCHEMBL18682073 0.79 GABRA2 (0.46) PKMPKLRGABRB3GABRA2GABRB2
SCHEMBL7097948 0.78 MRGPRX4 (0.33) PKMPKLRGABRB3GABRA2GABRB2
SCHEMBL22957721 0.78 SLC6A4 (0.48) PKMPKLRDDR1MRGPRX4
SCHEMBL17069232 0.78 PDE2A (0.40) PKMPKLRGABRB3GABRA2GABRB2

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 8 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
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 — — 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 (4 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 PKM 1976/4885PKLR 2409/4885GABRB3 864/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 PKM 1891/4885PKLR 2431/4885GABRB3 1311/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR PKM 2432/4885PKLR 2134/4885GABRB3 190/4885
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 PKM 1976/4885PKLR 2409/4885GABRB3 864/4885

“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.

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