SCHEMBL9951019

SCHEMBL9951019

CSc1ccc(Br)cc1CCc1cc(Br)ccc1SC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 2/20 0.34
CCR2 P41597 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL31050268 0.88 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3HRH3CCR2
SCHEMBL31050339 0.88 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
Hydrochloric Acid SCHEMBL20563260 0.87 TAAR1 (0.43) SLC6A4SLC6A2SLC6A3TAAR1SMN1; SMN2
SCHEMBL31503518 0.85 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL16952861 0.83 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
Hydrochloric Acid SCHEMBL1016506 0.82 CYP2A6 (0.40) SLC6A4SLC6A2SLC6A3HRH3SMN1; SMN2
SCHEMBL7820988 0.79 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL3107273 0.77 ALDH1A1 (0.38) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL31488655 0.75 SLC6A4 (0.32) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL2645981 0.75 ALOX15 (0.42) ALDH1A1CCR2MAPK1MAPTSMN1; 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 2 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-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 SLC6A4 221/4885SLC6A2 239/4885SLC6A3 243/4885

“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.