SCHEMBL4134081

SCHEMBL4134081

NC(Cc1ccccc1)c1cc(Br)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MAOA P21397 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ANPEP P15144 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP1A2 P05177 1/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
LAP3 P28838 3/20 0.36
GALR1 P47211 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
SCHEMBL25363112 0.76 PRSS1 (0.43) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL25363117 0.76 PRSS1 (0.43) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL30846613 0.73 EPHX1 (0.48) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL30846601 0.73 EPHX1 (0.48) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL3289195 0.73 EPHX1 (0.48) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL4138244 0.72 ALDH1A1 (0.41)
Hydrochloric Acid SCHEMBL9482622 0.71 EPHX1 (0.47) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL8239269 0.71 RAB9A (0.53) CYP2D6CYP1A2ALPI
Hydrochloric Acid SCHEMBL14895473 0.71 ALDH1A1 (0.36)
SCHEMBL8976592 0.71 HTR2A (0.52) EPHX1SLC6A2TAAR1SLC6A4SLC6A3

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-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 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 (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-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 EPHX1 469/4885SLC6A2 3819/4885TAAR1 2297/4885

“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.