SCHEMBL7043239

SCHEMBL7043239

O=c1[nH]c(-c2sccc2Br)nn1-c1cc(Cl)ccc1O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.33
IDO1 P14902 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
CASP3 P42574 1/20 0.32
AMY1A P0DUB6 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL7043431 0.90 IDO1 (0.35) KCNMA1IDO1MEN1CYP1A2MAPT
SCHEMBL7043491 0.86 ALDH1A1 (0.33) KCNMA1IDO1ALDH1A1
SCHEMBL7045717 0.86 IDO1 (0.33) IDO1AMY1AHTTALDH1A1HDAC6
SCHEMBL7041859 0.84 IDO1 (0.33) IDO1MEN1KMT2AAMY1AALDH1A1
SCHEMBL7040058 0.84 LMNA (0.39) KCNMA1LMNAMAPTAMY1AHTT
SCHEMBL7043409 0.82 IDO1 (0.33) IDO1ALDH1A1HDAC6
SCHEMBL7039103 0.81 TMIGD3 (0.34) KCNMA1IDO1CYP1A2CYP2C19ALDH1A1
SCHEMBL7042193 0.81 ALDH1A1 (0.33) KCNMA1IDO1CYP1A2CYP2C19HTT
SCHEMBL7042394 0.80 IDO1 (0.33) IDO1AMY1AALDH1A1HDAC6
SCHEMBL7044160 0.80 IDO1 (0.33) IDO1AMY1AALDH1A1HDAC6

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 KCNMA1 672/4885IDO1 171/4885MEN1 3259/4885

“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.