SCHEMBL7040420

SCHEMBL7040420

C=CCc1cc(Cl)cc([N+](=O)[O-])c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
LMNA P02545 1/20 0.40
CYP3A4 P08684 3/20 0.38
ALOX15 P16050 1/20 0.38
TPMT P51580 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
IMPDH2 P12268 1/20 0.38
HTT P42858 1/20 0.38
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL5691398 0.81 TPMT (0.49) LMNACYP3A4ALOX15TPMTALDH1A1
SCHEMBL7040026 0.79 MAPT (0.46) GABRA1GABRB2LMNAALDH1A1MAPT
SCHEMBL16099187 0.78 EPAS1 (0.35) GABRA1GABRB2LMNACYP3A4ALOX15
SCHEMBL19425451 0.77 TPMT (0.43) LMNATPMTALDH1A1MAPTCYP2C9
SCHEMBL6701537 0.76 TSHR (0.48) LMNATPMTALDH1A1MAPTHPGD
SCHEMBL10731545 0.75 GABRA1 (0.55) GABRA1GABRB2CYP3A4ALOX15ALDH1A1
SCHEMBL7042258 0.74 CYP3A4 (0.44) GABRA1GABRB2CYP3A4ALOX15ALDH1A1
SCHEMBL7042203 0.74 TSHR (0.44) LMNATPMTALDH1A1MAPTPOLB
SCHEMBL16098867 0.74 PDE7A (0.40) GABRA1GABRB2LMNACYP3A4ALDH1A1
SCHEMBL7045447 0.73 MAPT (0.53) TPMTALDH1A1MAPTL3MBTL1POLB

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 GABRA1 800/4885GABRB2 610/4885LMNA 4058/4885

“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.