SCHEMBL7042379

SCHEMBL7042379

COc1ccc(Cl)cc1-n1nc(-c2cc(Br)cs2)[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
AMY1A P0DUB6 4/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
METAP2 P50579 1/20 0.35
GLA P06280 1/20 0.35
FGFR1 P11362 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
HPGD P15428 1/20 0.34
THRB P10828 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
SCHEMBL7044889 0.91 LMNA (0.41) LMNATSHRHTTHTR3EHTR3B
SCHEMBL7042358 0.85 LMNA (0.41) LMNATSHRHTTAMY1AHTR3E
SCHEMBL7045242 0.84 LMNA (0.39) LMNATSHRHTTAMY1AHTR3E
SCHEMBL7043556 0.84 LMNA (0.39) LMNATSHRHTTAMY1AHTR3E
SCHEMBL7039099 0.84 LMNA (0.39) LMNATSHRHTTAMY1AHTR3E
SCHEMBL7043303 0.84 LMNA (0.39) LMNATSHRHTTAMY1AHTR3E
SCHEMBL7041119 0.82 LMNA (0.43) LMNATSHRHTTHTR3EHTR3B
SCHEMBL7040058 0.82 LMNA (0.39) LMNATSHRHTTAMY1AHTR3E
SCHEMBL7043609 0.81 LMNA (0.40) LMNATSHRHTTHTR3EHTR3B
SCHEMBL7041696 0.80 LMNA (0.39) LMNATSHRHTTAMY1AHTR3E

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.