SCHEMBL7045461

SCHEMBL7045461

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.37
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.32
PKM P14618 1/20 0.32
BCAT2 O15382 2/20 0.32
BCAT1 P54687 2/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
P2RX7 Q99572 3/20 0.32
FUBP1 Q96AE4 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 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
SCHEMBL3765374 0.91 NR1I2 (0.38) NR1I2KDM4EALDH1A1THRBHPGD
SCHEMBL7043479 0.85 CNR1 (0.34) CNR1CNR2F10
SCHEMBL7042358 0.85 LMNA (0.41) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL7043731 0.83 APLNR (0.36) NR1I2KDM4EALDH1A1THRBKMT2A
SCHEMBL7039146 0.81 CNR1 (0.32) CNR1CNR2F10
SCHEMBL7042244 0.81 AMY1A (0.37) NR1I2KDM4EALDH1A1KMT2AMEN1
SCHEMBL7045437 0.80 CNR1 (0.34) KDM4EALDH1A1CNR1CNR2MAPT
SCHEMBL7039920 0.78 F10 (0.31) KDM4EALDH1A1CNR1CNR2MAPT
SCHEMBL7043464 0.77 CNR1 (0.34) KDM4EALDH1A1CNR1CNR2MAPT
SCHEMBL7043739 0.77 AMY1A (0.37) NR1I2KDM4EALDH1A1THRBKMT2A

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-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US 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.