SCHEMBL3765374

SCHEMBL3765374

COc1cc(Br)c(Cl)cc1-n1nc(-c2ccc(Br)s2)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.38
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SCN9A Q15858 1/20 0.33
AMY1A P0DUB6 2/20 0.33
BCAT2 O15382 1/20 0.32
BCAT1 P54687 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
FUBP1 Q96AE4 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
BRCA1 P38398 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7045461 0.91 NR1I2 (0.37) NR1I2KDM4EALDH1A1THRBHPGD
SCHEMBL7042358 0.86 LMNA (0.41) ALDH1A1HPGDAMY1AMEN1MAPT
SCHEMBL3757455 0.84 AKT2 (0.34) HCAR1F10CNR1CNR2
SCHEMBL7043731 0.84 APLNR (0.36) NR1I2KDM4EALDH1A1THRBAMY1A
SCHEMBL7042244 0.82 AMY1A (0.37) NR1I2KDM4EALDH1A1AMY1AFUBP1
SCHEMBL7045437 0.81 CNR1 (0.34) KDM4EALDH1A1MAPTF10CNR1
SCHEMBL7039920 0.81 F10 (0.31) KDM4EALDH1A1MAPTF10CNR1
SCHEMBL7039146 0.78 CNR1 (0.32) F10CNR1CNR2
SCHEMBL7043479 0.77 CNR1 (0.34) HCAR1F10CNR1CNR2
SCHEMBL7043739 0.77 AMY1A (0.37) NR1I2KDM4EALDH1A1THRBAMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846671-B2 Methods of screening for agents that modulate the interaction of RGS and Gαq and urinary incontinence BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-7846671-B2 Methods of screening for agents that modulate the interaction of RGS and Gαq and urinary incontinence BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-7846671-B2 Methods of screening for agents that modulate the interaction of RGS and Gαq and urinary incontinence BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-20070065883-A1 Molecules that modulate Galphaq activity and methods of treating urinary incontinence BRISTOL-MYERS SQUIBB COMPANY 2007-03-22 US disclosed
US-20070065883-A1 Molecules that modulate Galphaq activity and methods of treating urinary incontinence BRISTOL-MYERS SQUIBB COMPANY 2007-03-22 US disclosed
US-20070065883-A1 Molecules that modulate Galphaq activity and methods of treating urinary incontinence BRISTOL-MYERS SQUIBB COMPANY 2007-03-22 US disclosed
EP-1499279-A4 MOLECULES THAT MODULATE GaQ ACTIVITY AND METHODS OF TREATING URINARY INCONTINENCE BRISTOL MYERS SQUIBB CO (US) 2006-07-12 EP disclosed
EP-1499279-A2 MOLECULES THAT MODULATE GaQ ACTIVITY AND METHODS OF TREATING URINARY INCONTINENCE BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-26 EP disclosed
US-20040014135-A1 Molecules that modulate Galphaq avtivity and methods of treating urinary incontinence BRISTOL-MYERS SQUIBB COMPANY 2004-01-22 US disclosed
US-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
WO-2003063784-A2 MOLECULES THAT MODULATE GαQ ACTIVITY AND METHODS OF TREATING URINARY INCONTINENCE BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-07 WO disclosed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 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-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants PDE3A, ADRB2, ADRB3 NR1I2 532/4885KDM4E 1943/4885ALDH1A1 1237/4885

“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.