SCHEMBL2777792

SCHEMBL2777792

Cc1ccc2c(c1)SCCC2C#N

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
BRCA1 P38398 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EPHX2 P34913 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL15919017 0.76 EPHX2 (0.35) MEN1KMT2AEPHX2CHRNB2CHRNA4
SCHEMBL12253322 0.75 NOS3 (0.34) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL13930554 0.71 SRD5A1 (0.43) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL12616857 0.71 CTSL (0.35) MEN1KMT2AEPHX2CHRNB2CHRNA4
SCHEMBL3153525 0.67 TRPM5 (0.41) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL12253324 0.66 MEN1 (0.32) MEN1KMT2A
SCHEMBL464509 0.65 EPHX2 (0.37) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL7992775 0.64 EPHX2 (0.42) MEN1KMT2AALDH1A1HPGDALOX15
SCHEMBL12253323 0.64 RAB9A (0.42) MEN1KMT2AALDH1A1
SCHEMBL27267001 0.61 KMT2A (0.35) MEN1KMT2AALDH1A1EPHX2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767667-B2 Pesticidal heterocycles FMC CORPORATION (US) 2010-08-03 US disclosed
US-20090012070-A1 PESTICIDAL HETEROCYCLES BAYER CROPSCIENCE AG (DE) 2009-01-08 US disclosed
US-7417057-B2 Pesticidal heterocycles BAYER CROPSCIENCE AG (DE) 2008-08-26 US disclosed
EP-1499609-A4 PESTICIDAL HETEROCYCLES FMC CORP (US) 2005-09-14 EP disclosed
US-20050143418-A1 Pesticidal heterocycles FMC CORPORATION 2005-06-30 US disclosed
EP-1499609-A2 PESTICIDAL HETEROCYCLES FMC CORPORATION (US) 2005-01-26 EP disclosed
WO-2003092374-A2 PESTICIDAL HETEROCYCLES FMC CORPORATION (US) 2003-11-13 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 (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-20090012070-A1 PESTICIDAL HETEROCYCLES DDT, CBR3, ACHE MEN1 705/4885KMT2A 3878/4885ALDH1A1 4036/4885
US-20050143418-A1 Pesticidal heterocycles DDT, TRHR, ACHE MEN1 611/4885KMT2A 3837/4885ALDH1A1 3938/4885

“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.