SCHEMBL7043739

SCHEMBL7043739

COc1ccc(Br)cc1-n1nc(-c2ccc(Cl)s2)[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.37
APLNR P35414 1/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
NR1I2 O75469 1/20 0.34
FUBP1 Q96AE4 1/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
F10 P00742 1/20 0.33
P2RX7 Q99572 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL7041119 0.89 LMNA (0.43) MAPTPDGFRBPDGFRANR1I2LMNA
SCHEMBL7043731 0.89 APLNR (0.36) AMY1AAPLNRMAPTTP53NR1I2
SCHEMBL7041687 0.83 AKT2 (0.35) PDGFRBF10MEN1KMT2APIM1
SCHEMBL7042358 0.83 LMNA (0.41) AMY1AMAPTLMNATSHRHTT
SCHEMBL7042244 0.78 AMY1A (0.37) AMY1AMAPTNR1I2FUBP1LMNA
SCHEMBL7042379 0.78 LMNA (0.39) AMY1AMAPTNR1I2LMNATSHR
SCHEMBL7045242 0.77 LMNA (0.39) AMY1AMAPTLMNATSHRHTT
SCHEMBL3765374 0.77 NR1I2 (0.38) AMY1AMAPTNR1I2FUBP1HTT
SCHEMBL7043303 0.77 LMNA (0.39) AMY1AMAPTNR1I2LMNATSHR
SCHEMBL7039099 0.77 LMNA (0.39) AMY1AMAPTLMNATSHRHTT

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 AMY1A 881/4885APLNR 3812/4885MAPT 1238/4885

“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.