SCHEMBL2373732

SCHEMBL2373732

N#CCCSC(=S)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
CYP19A1 P11511 1/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 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
SCHEMBL3715907 0.89 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL3263484 0.81 SMN1; SMN2 (0.38) ALDH1A1CYP1A2CYP3A4CYP2C19CYP19A1
SCHEMBL31212629 0.79 IDO1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL21916099 0.78 KMT2A (0.42) ALDH1A1CYP3A4TSHRKMT2APOLB
SCHEMBL15669258 0.75 HDAC3 (0.35) ALDH1A1CYP3A4TSHRGAAKMT2A
SCHEMBL7584115 0.75 MAPT (0.47) ALDH1A1GAAKMT2APOLBHDAC3
SCHEMBL163065 0.75 NOS1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C19HDAC3
SCHEMBL23112205 0.74 PHGDH (0.52) ALDH1A1CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL2772007 0.74 HDAC3 (0.34) ALDH1A1TSHRPOLBHDAC3HDAC4
SCHEMBL28556797 0.74 SMN1; SMN2 (0.38) ALDH1A1CYP19A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2478021-B1 Nitrile rubbers and production of same in organic solvents LANXESS DEUTSCHLAND GMBH (DE) 2015-11-04 EP claimed
US-9023914-B2 Nitrile rubbers and production thereof in organic solvents LANXESS DEUTSCHLAND GMBH (DE) 2015-05-05 US claimed
US-20140235744-A1 PROCESS FOR PRODUCING NITRILE RUBBERS IN ORGANIC SOLVENTS LANXESS DEUTSCHLAND GMBH (DE) 2014-08-21 US claimed
US-20120283351-A1 NITRILE RUBBERS AND PRODUCTION THEREOF IN ORGANIC SOLVENTS LANXESS DEUTSCHLAND GMBH (DE) 2012-11-08 US claimed
US-10858455-B2 Process for the production of water and solvent-free nitrile rubbers ARLANXEO DEUTSCHLAND GMBH (DE) 2020-12-08 US disclosed
US-20160369014-A1 PROCESS FOR THE PRODUCTION OF WATER AND SOLVENT-FREE NITRILE RUBBERS ARLANXEO DEUTSCHLAND GMBH (DE) 2016-12-22 US disclosed
US-9469697-B2 Process for the production of water and solvent-free nitrile rubbers LANXESS DEUTSCHLAND GMBH (DE) 2016-10-18 US disclosed
CN-102498140-B Nitrile rubbers and production thereof in organic solvents LANXESS DEUTSCHLAND GMBH 2015-06-24 CN disclosed
US-9023914-B2 Nitrile rubbers and production thereof in organic solvents LANXESS DEUTSCHLAND GMBH (DE) 2015-05-05 US disclosed
US-20140357801-A1 Nitrile rubbers coupled via bisdihydropyrazole groups, production thereof and use thereof LANXESS DEUTSCHLAND GMBH (DE) 2014-12-04 US disclosed
US-20140235744-A1 PROCESS FOR PRODUCING NITRILE RUBBERS IN ORGANIC SOLVENTS LANXESS DEUTSCHLAND GMBH (DE) 2014-08-21 US disclosed
US-20130211031-A1 PROCESS FOR THE PRODUCTION OF WATER AND SOLVENT-FREE NITRILE RUBBERS LANXESS International S.A. (CH) 2013-08-15 US disclosed
EP-2550301-A1 PROCESS FOR THE PRODUCTION OF WATER AND SOLVENT-FREE NITRILE RUBBERS Lanxess Deutschland GmbH (DE) 2013-01-30 EP disclosed
US-20120283351-A1 NITRILE RUBBERS AND PRODUCTION THEREOF IN ORGANIC SOLVENTS LANXESS DEUTSCHLAND GMBH (DE) 2012-11-08 US disclosed
EP-2368916-B1 Process for the production of water and solvent-free nitrile rubbers LANXESS INT SA (CH) 2012-08-22 EP disclosed
CN-102498140-A Nitrile rubbers and production thereof in organic solvents LANXESS DEUTSCHLAND GMBH 2012-06-13 CN disclosed
WO-2011117194-A1 PROCESS FOR THE PRODUCTION OF WATER AND SOLVENT-FREE NITRILE RUBBERS LANXESS DEUTSCHLAND GMBH (DE) 2011-09-29 WO disclosed
EP-2368916-A1 Process for the production of water and solvent-free nitrile rubbers LANXESS International SA (CH) 2011-09-28 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-20140357801-A1 Nitrile rubbers coupled via bisdihydropyrazole groups, production thereof and use thereof CYP2E1, NOS3, NOS2 ALDH1A1 992/4885CYP1A2 50/4885CYP3A4 13/4885

“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.