SCHEMBL4138244

SCHEMBL4138244

O=C(O)NC(Cc1ccccc1)c1cc(Br)cs1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
FPR2 P25090 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MME P08473 2/20 0.38
CTRB1 P17538 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL4134081 0.72 EPHX1 (0.44)
SCHEMBL25363264 0.72 SIGMAR1 (0.31) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL29523561 0.72 SIGMAR1 (0.31) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL25363267 0.72 SIGMAR1 (0.31) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL25363271 0.72 SIGMAR1 (0.31) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL18921065 0.70 S1PR4 (0.43) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL1901572 0.69 FPR2 (0.52) L3MBTL1FPR2NPC1RAB9AMEN1
SCHEMBL3511843 0.69 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MMECTRB1
SCHEMBL3506437 0.69 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MMECTRB1
SCHEMBL3506435 0.69 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MMECTRB1

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-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

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 ALDH1A1 2061/4885HTT 3888/4885NCOA1 1269/4885

“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.