SCHEMBL6237196

SCHEMBL6237196

C[C](C#N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.39
TSHR P16473 2/20 0.38
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
C1S P09871 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL10177473 0.75 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL178769 0.75 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL1342671 0.75 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL8544845 0.75 KMT2A (0.46) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL28241182 0.75 ESR1 (0.43) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL10031632 0.75 ESR1 (0.43) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL2767938 0.75 THRB (0.50) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL14194446 0.75 KMT2A (0.46) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL8544848 0.75 KMT2A (0.46) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL1342675 0.75 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1RAB9ALMNA

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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370760-B2 Dithioester compound SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2022-06-28 US claimed
US-11214546-B2 Dithioester compound SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2022-01-04 US claimed
CN-109971004-A Perfluorinated sulfonic acid ion exchange membrane and preparation method and application thereof 大连融科储能技术发展有限公司 2019-07-05 CN claimed
US-6288195-B1 CONDENSATION POLYMERIZATION OF CYCLIC AND LINEAR ENDCAPPED POLYSILOXANES; HEATING TO DEACTIVATE CATALYST SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-09-11 US claimed
EP-0477646-B1 Substituted 5-alkoxy-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1995-03-01 EP claimed
EP-0283876-B1 Substituted triazolinones BAYER AG (DE) 1994-07-20 EP claimed
EP-0294666-B1 Substituted triazolinones BAYER AG (DE) 1994-02-16 EP claimed
EP-0431390-B1 Substituted triazolinones BAYER AG (DE) 1994-01-12 EP claimed
US-5276008-A Herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US claimed
EP-0332991-B1 Substituted triazoles BAYER AG (DE) 1993-11-10 EP claimed
EP-0298371-B1 SUBSTITUTED TRIAZOLINONES BAYER AG (DE) 1991-10-02 EP claimed
US-5051517-A Reacting a chloroformidine hydrochloride with an oxamohydrazide, forming bonds between carbon and nitrogen and cyclization BAYER AKTIENGESELLSCHAFT (DE) 1991-09-24 US claimed
EP-0431390-A1 Substituted triazolinones BAYER AG (DE) 1991-06-12 EP claimed
EP-0415196-A2 Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1991-03-06 EP claimed
EP-0412358-A1 3-Amino-5-aminocarbonyl-1,2,4-triazole derivatives BAYER AG (DE) 1991-02-13 EP claimed
EP-0399285-A1 Process for the preparation of 3-amino-5-aminocarbonyl-1,2,4-triazole derivatives BAYER AG (DE) 1990-11-28 EP claimed
EP-0398096-A1 Substituted triazolones BAYER AG (DE) 1990-11-22 EP claimed
EP-0332991-A1 Substituted triazoles BAYER AG (DE) 1989-09-20 EP claimed
EP-0298371-A1 Substituted triazolinones BAYER AG (DE) 1989-01-11 EP claimed
EP-0283876-A2 Substituted triazolinones BAYER AG (DE) 1988-09-28 EP claimed

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-11370760-B2 Dithioester compound SQOR, LANCL1, AKR1C4 ALDH1A1 47/4885MAPT 4604/4885MAPK1 1782/4885
US-11214546-B2 Dithioester compound CBR3, CBR1, GFER ALDH1A1 142/4885MAPT 3201/4885MAPK1 2851/4885

“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.