SCHEMBL7045830

SCHEMBL7045830

COc1ccc(Cl)cc1-n1nc(-c2sccc2I)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.38
GAA P10253 2/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
USP2 O75604 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
METAP2 P50579 1/20 0.35
AMY1A P0DUB6 1/20 0.35
GLA P06280 1/20 0.35
FGFR1 P11362 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7042361 0.90 LMNA (0.41) LMNATSHRHTTALDH1A1GAA
SCHEMBL7040058 0.87 LMNA (0.39) LMNATSHRHTTALDH1A1GAA
SCHEMBL7043491 0.84 ALDH1A1 (0.33) ALDH1A1KCNMA1
SCHEMBL7041696 0.82 LMNA (0.39) LMNATSHRHTTALDH1A1GAA
SCHEMBL7043556 0.81 LMNA (0.39) LMNATSHRHTTALDH1A1GAA
SCHEMBL7043653 0.81 LMNA (0.40) LMNATSHRHTTALDH1A1GAA
SCHEMBL7045328 0.80 LMNA (0.41) LMNATSHRHTTALDH1A1GAA
SCHEMBL7044889 0.79 LMNA (0.41) LMNATSHRHTTALDH1A1GAA
SCHEMBL7039900 0.79 LMNA (0.39) LMNATSHRHTTALDH1A1GAA
SCHEMBL7043242 0.79 LMNA (0.39) LMNATSHRHTTALDH1A1GAA

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 LMNA 4058/4885TSHR 1867/4885HTT 4125/4885

“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.