SCHEMBL9487495

SCHEMBL9487495

CN(C)/C=N/c1sc(C=O)c(Cl)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
MAPT P10636 7/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 4/20 0.42
NPSR1 Q6W5P4 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 2/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL10414880 1.00 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9487501 1.00 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9486798 0.83 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9486739 0.82 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9486735 0.82 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9487852 0.80 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9486433 0.80 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9487845 0.80 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9486428 0.80 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL10875341 0.79 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316786-B1 TRIALKYL AMINE SALTS OF 1,1-DICYANO-2-HYDROXY-3-CHLOROPROP-1-ENE, AND PROCESS FOR THE PREPARATION OF 2-AMINO-4-CHLORO-3-CYANO-5-FORMYL THIOPHENE BASF Aktiengesellschaft (DE) 1991-11-27 EP claimed
JP-1153668-A None JP disclosed
US-11578080-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-02-14 US disclosed
US-20210395267-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INT (DE) 2021-12-23 US disclosed
US-11136336-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-05 US disclosed
WO-2021074197-A1 THIENOPYRIMIDONES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-22 WO disclosed
WO-2021074196-A1 THIENOPYRIMIDONES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-22 WO disclosed
US-20210107918-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 US disclosed
US-20210107919-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 US disclosed
US-5206375-A Thiophene derivatives BASF AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed
US-4843153-A Azo dyes containing thienothiophene radicals as radicals of the diazo component BASF AKTIENGESELLSCHAFT (DE) 1989-06-27 US disclosed
JP-H01153668-A TRIALKYLAMINE SALT OF 3-CHLORO-1,1-DICYANO-2-HYDROXY-1-PROPENE AND PREPARATION OF 2-AMINO-4-CHLORO-3-CYANO-5-FORMYLTHIOPHENE THEREFROM BASF AG 1989-06-15 JP 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-11578080-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 ALDH1A1 822/4885MAPT 234/4885KDM4E 3740/4885
US-20210107918-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 ALDH1A1 1108/4885MAPT 287/4885KDM4E 3563/4885
US-20210107919-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 ALDH1A1 1108/4885MAPT 287/4885KDM4E 3563/4885
US-20210395267-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 ALDH1A1 1108/4885MAPT 287/4885KDM4E 3563/4885
US-11136336-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 ALDH1A1 822/4885MAPT 234/4885KDM4E 3740/4885

“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.