SCHEMBL2017488

SCHEMBL2017488

NS(=O)(=O)N1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 1.00
CA2 P00918 3/20 1.00
POLB P06746 1/20 0.58
TSHR P16473 4/20 0.55
KMT2A Q03164 2/20 0.55
USP2 O75604 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
GAA P10253 1/20 0.36
FKBP1A P62942 1/20 0.35

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
SCHEMBL392889 1.00 CA1 (1.00) CA1CA2POLBTSHRKMT2A
SCHEMBL2724764 1.00 CA1 (1.00) CA1CA2POLBTSHRKMT2A
SCHEMBL21356989 1.00 CA1 (1.00) CA1CA2POLBTSHRKMT2A
SCHEMBL391423 0.97
SCHEMBL2723676 0.97
Hydrochloric Acid SCHEMBL29819829 0.93 CA1 (0.88) CA1CA2POLBTSHRKMT2A
SCHEMBL1486989 0.90
Carbamic Acid SCHEMBL3668356 0.87 CA1 (0.75) CA1CA2POLBTSHRKMT2A
Piperidine SCHEMBL6170163 0.84 CA2 (0.71) CA1CA2POLBTSHRKMT2A
Carbamic Acid SCHEMBL1269504 0.83 CA1 (0.70) CA1CA2POLBTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110072864-A TDO2 INHIBITORS 基因泰克公司 2019-07-30 CN claimed
EP-3394068-B1 TDO2 INHIBITORS GENENTECH INC (US) 2024-09-11 EP disclosed
US-20220306635-A1 TDO2 Inhibitors GENENTECH, INC. 2022-09-29 US disclosed
CN-110072864-B TDO2 inhibitors 基因泰克公司 2022-05-27 CN disclosed
CN-110072864-A TDO2 INHIBITORS 基因泰克公司 2019-07-30 CN disclosed
US-20180346416-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-12-06 US disclosed
US-10071957-B2 N-substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2018-09-11 US disclosed
EP-2870138-B1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH INC (US) 2018-08-22 EP disclosed
CN-104797555-B N-substituted benzamides and methods of use thereof 基因泰克公司 2017-12-22 CN disclosed
US-20150322002-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-12 US disclosed
CN-104797555-A N-substituted benzamides and methods of use thereof GENENTECH INC 2015-07-22 CN disclosed
EP-2870138-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2015-05-13 EP disclosed
WO-2014008458-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-01-09 WO disclosed
EP-2650284-A1 Heterocyclic derivatives as metabotropic glutamate receptor modulators Merz Pharma GmbH & Co. KGaA (DE) 2013-10-16 EP disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 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 (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-20150322002-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, SNRPD2, RDX CA1 2618/4885CA2 2585/4885POLB 2326/4885
US-10071957-B2 N-substituted benzamides and methods of use thereof BRIX1, SNRPD2, RDX CA1 2618/4885CA2 2585/4885POLB 2326/4885
US-20180346416-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, P2RX3 CA1 2544/4885CA2 1725/4885POLB 3296/4885
US-20220306635-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 CA1 3102/4885CA2 2478/4885POLB 3265/4885

“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.