SCHEMBL9414036

SCHEMBL9414036

CCSc1n[nH]c(=O)n1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR8 Q9NR97 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL9414001 0.85 LMNA (0.49) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL3525757 0.78 LMNA (0.43) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL9593492 0.78 MAPT (0.41) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9414026 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL7028070 0.78 HTT (0.39) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL5404452 0.77
SCHEMBL5407633 0.76 MEN1 (0.34) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL7764668 0.71 TLR8 (0.33) LMNAMAPTHTTKMT2AMEN1
SCHEMBL16324245 0.71 POLB (0.34) LMNAMAPTHTTKMT2AMEN1
SCHEMBL8593320 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0585970-A2 Substituted triazolinones BAYER AG (DE) 1994-03-09 EP claimed
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 EP disclosed
US-9981940-B2 Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-29 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
EP-3227283-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
US-20160145235-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-05-26 US disclosed
EP-3010893-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-04-27 EP disclosed
WO-2014202510-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-12-24 WO disclosed
EP-0398096-A1 Substituted triazolones BAYER AG (DE) 1990-11-22 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 (2 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-20160145235-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES ARSA, SQOR, AHR ALDH1A1 100/4885KDM4E 1804/4885HPGD 2758/4885
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 ALDH1A1 4131/4885KDM4E 1943/4885HPGD 2854/4885

“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.