SCHEMBL7043479

SCHEMBL7043479

Cc1cc(O)c(-n2nc(-c3ccc(Br)s3)[nH]c2=O)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
AKT2 P31751 1/20 0.33
CLK2 P49760 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
F10 P00742 3/20 0.32
SNCA P37840 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HCAR1 Q9BXC0 1/20 0.30

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
SCHEMBL3757455 0.89 AKT2 (0.34) CNR1CNR2AKT2CLK2DYRK1A
SCHEMBL7045461 0.85 NR1I2 (0.37) CNR1CNR2F10
SCHEMBL7045380 0.83 SNCA (0.36) CNR1CNR2F10SNCAPTGS1
SCHEMBL7043464 0.83 CNR1 (0.34) CNR1CNR2F10
SCHEMBL7040511 0.81 SNCA (0.38) AKT2CLK2DYRK1ACLK4F10
SCHEMBL7042374 0.80 CNR1 (0.35) CNR1CNR2F10SNCA
SCHEMBL7042344 0.78 AMY1A (0.36) CNR1CNR2F10SNCA
SCHEMBL3765374 0.77 NR1I2 (0.38) CNR1CNR2F10HCAR1
SCHEMBL7039146 0.77 CNR1 (0.32) CNR1CNR2F10
SCHEMBL7043221 0.76 KMT2A (0.44) F10SNCAPTGS1PTGS2HSP90AA1

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 4 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 claimed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 US claimed
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 CNR1 416/4885CNR2 258/4885AKT2 2893/4885

“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.