SCHEMBL7043568

SCHEMBL7043568

O=c1[nH]c(-c2cc(Cl)sc2Cl)nn1-c1cc(Cl)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
IDO1 P14902 2/20 0.34
ESR1 P03372 1/20 0.33
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
TDP2 O95551 1/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 3/20 0.32
PLA2G10 O15496 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNMA1 Q12791 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MAPT P10636 1/20 0.30
ATM Q13315 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
SCHEMBL7042324 0.83 LMNA (0.40) ALDH1A1MAPTHTT
SCHEMBL7039150 0.82 PTGS2 (0.35) MEN1KMT2AIDO1ALDH1A1CYP1A2
SCHEMBL7042198 0.81 IDO1 (0.33) IDO1TDP2ALDH1A1HDAC6MAPT
SCHEMBL7044105 0.81 IDO1 (0.34) MEN1KMT2AIDO1TDP2ALDH1A1
SCHEMBL7043650 0.81 IDO1 (0.34) MEN1KMT2AIDO1ESR1CDK4
SCHEMBL7042394 0.79 IDO1 (0.33) IDO1ALDH1A1HDAC6
SCHEMBL7039901 0.78 CNR1 (0.36) IDO1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7045380 0.78 SNCA (0.36) IDO1ALDH1A1HDAC6CYP1A2CYP3A4
SCHEMBL7042193 0.78 ALDH1A1 (0.33) IDO1ESR1TDP2ALDH1A1CYP1A2
SCHEMBL7039107 0.77 IDO1 (0.35) MEN1KMT2AIDO1TDP2ALDH1A1

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 MEN1 3259/4885KMT2A 981/4885IDO1 171/4885

“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.