SCHEMBL10018345

SCHEMBL10018345

CSc1ccc(Br)cc1/C=C/c1cc(Br)ccc1SC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ERN1 O75460 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
CCR2 P41597 1/20 0.34
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 3/20 0.31
CASP7 P55210 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TNFRSF1A P19438 1/20 0.30
PNP P00491 1/20 0.30
ALOX5 P09917 1/20 0.30
GAA P10253 1/20 0.30
NCEH1 Q6PIU2 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
SCHEMBL31050378 0.85 ALDH1A1 (0.33) ALDH1A1ERN1MEN1KMT2ACCR2
SCHEMBL16960520 0.83 ALDH1A1 (0.36) ALDH1A1ERN1CCR2HPGDTSHR
SCHEMBL31050324 0.83 ERN1 (0.52) ALDH1A1ERN1CA12CA9CCR2
SCHEMBL1017248 0.83 ERN1 (0.52) ALDH1A1ERN1CA12CA9CCR2
SCHEMBL16952858 0.83 ERN1 (0.38) ALDH1A1ERN1MEN1KMT2ACA12
SCHEMBL3107273 0.77 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACCR2TSHR
SCHEMBL1019839 0.76 GAA (0.39) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL1261937 0.76 GAA (0.39) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL2645981 0.75 ALOX15 (0.42) ALDH1A1MEN1KMT2ACCR2HPGD
SCHEMBL2781542 0.73 ALDH1A1 (0.42) ALDH1A1CCR2HPGDTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283660-B2 Small molecule semiconductor XEROX CORPORATION (US) 2012-10-09 US disclosed
US-8283660-B2 Small molecule semiconductor XEROX CORPORATION (US) 2012-10-09 US disclosed
US-20120161109-A1 SMALL MOLECULE SEMICONDUCTOR XEROX CORPORATION (US) 2012-06-28 US disclosed
US-20120161109-A1 SMALL MOLECULE SEMICONDUCTOR XEROX CORPORATION (US) 2012-06-28 US 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-20120161109-A1 SMALL MOLECULE SEMICONDUCTOR SLC43A1, TST, SLC7A5 ALDH1A1 1129/4885ERN1 3101/4885MEN1 579/4885

“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.