SCHEMBL7039103

SCHEMBL7039103

O=c1[nH]c(-c2cc(Br)cs2)nn1-c1cc(Cl)ccc1O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
AKT2 P31751 1/20 0.31
CLK2 P49760 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNMA1 Q12791 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
SCHEMBL7039107 0.91 IDO1 (0.35) IDO1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7045380 0.84 SNCA (0.36) IDO1ALDH1A1HDAC6CYP1A2CYP3A4
SCHEMBL7042379 0.83 LMNA (0.39) ALDH1A1
SCHEMBL7042394 0.83 IDO1 (0.33) IDO1ALDH1A1HDAC6
SCHEMBL7045717 0.83 IDO1 (0.33) IDO1ALDH1A1HDAC6
SCHEMBL7044160 0.83 IDO1 (0.33) IDO1ALDH1A1HDAC6
SCHEMBL7039150 0.81 PTGS2 (0.35) IDO1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7043649 0.81 IDO1 (0.32) IDO1ALDH1A1
SCHEMBL7043239 0.81 KCNMA1 (0.33) IDO1ALDH1A1HDAC6CYP1A2CYP2C19
SCHEMBL7043650 0.80 IDO1 (0.34) IDO1ALDH1A1AKT2CLK2DYRK1A

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 TMIGD3 1793/4885ADORA2A 3927/4885ADORA1 1808/4885

“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.