SCHEMBL5476883

SCHEMBL5476883

Fc1ccc(Cc2ccc(Br)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
ALOX5 P09917 4/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
TP53 P04637 4/20 0.40
EPHX2 P34913 2/20 0.38
PARP1 P09874 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL1732578 0.80 PARP1 (0.38) EPHX2PARP1MAPTALDH1A1KMT2A
SCHEMBL155145 0.80 TDP1 (0.40) TP53EPHX2PARP1ALDH1A1KDM4E
SCHEMBL3327471 0.79 CALM1 (0.46) IDO1ALOX5TP53PARP1MAPT
SCHEMBL7825397 0.78 TAAR1 (0.42) IDO1SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL13049960 0.78 KDM4E (0.45) PARP1MAPTALDH1A1KMT2AMEN1
SCHEMBL1733685 0.77 PARP1 (0.39) SMN1; SMN2EPHX2PARP1MAPTALDH1A1
SCHEMBL8304377 0.76 ALOX5 (0.43) IDO1ALOX5SMN1; SMN2TP53EPHX2
SCHEMBL1680761 0.76 LOXL2 (0.52) IDO1ALOX5SMN1; SMN2TP53EPHX2
SCHEMBL24573265 0.74 SRD5A2 (0.45) TP53ALDH1A1KMT2AMEN1LMNA
SCHEMBL1680352 0.73 ALOX5 (0.42) ALOX5SMN1; SMN2TP53EPHX2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580431-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-02-28 US disclosed
US-9580431-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-02-28 US disclosed
US-9580431-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-02-28 US disclosed
US-20160016960-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
US-20160016960-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
US-20160016960-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
EP-2970298-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
WO-2014164467-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-09 WO disclosed
WO-2014164467-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-09 WO disclosed
US-20070093473-A1 7-Heteroarylsulfonyl-tetrahydro-3-benzazepine derivatives as antipsychotic agents GLAXO GROUP LIMITED 2007-04-26 US disclosed
EP-1663248-A1 7-HETEROARYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2006-06-07 EP disclosed
WO-2005025576-A1 7-HETEROARYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-03-24 WO disclosed
EP-0667855-B1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 1999-03-24 EP disclosed
US-5616596-A Substituted arylalkynyl-and heteroarylalkynl-N-hydroxyurea inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
WO-1996016054-A1 CYCLOALKENYL-N-HYDROXYUREAS PFIZER PHARMACEUTICALS INC. (JP) 1996-05-30 WO disclosed
EP-0667855-A4 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1996-02-21 EP disclosed
EP-0667855-A1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-08-23 EP disclosed
WO-1994011342-A1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-05-26 WO disclosed
US-5288751-A [(Substituted) phenyalkyl]furylalkynyl-and [substituted) phenyalkyl] thienylalkynyl-N-hydroxyurea inhibitors or leukotriene biosynthesis ABBOTT LABORATORIES (US) 1994-02-22 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 (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-20070093473-A1 7-Heteroarylsulfonyl-tetrahydro-3-benzazepine derivatives as antipsychotic agents SIGMAR1, CHRNA3, CHRNA5 IDO1 958/4885ALOX5 3236/4885SMN1; SMN2 1864/4885
US-20160016960-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, RTF2, MAVS IDO1 583/4885ALOX5 2602/4885SMN1; SMN2 2947/4885

“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.