SCHEMBL7046840

SCHEMBL7046840

COc1c(C)cc(Cl)cc1NN

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.39
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
FFAR4 Q5NUL3 1/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
NQO2 P16083 1/20 0.32

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
SCHEMBL7042373 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL7042377 0.79 CA2 (0.39) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL12504651 0.79 SCN4A (0.44) SCN4AALDH1A1FFAR4MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL15561625 0.78 GAA (0.34) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL13648047 0.75 GAA (0.38) SCN4AALDH1A1KDM4EGAAMAPT
SCHEMBL7045444 0.74 CYP3A4 (0.45) SCN4AALDH1A1GAAFFAR4MAPT
SCHEMBL7040066 0.73 CYP3A4 (0.40) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL10510118 0.73 MAPT (0.50) SCN4AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL8946556 0.72 ALDH1A1 (0.37) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL14189350 0.71 ACHE (0.50) SCN4AALDH1A1KDM4EGAAMAPT

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 SCN4A 791/4885ALDH1A1 1237/4885KDM4E 1943/4885

“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.