SCHEMBL2458951

SCHEMBL2458951

c1cc(-c2ccc3cnsc3c2)c[nH]1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 3/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TRPA1 O75762 1/20 0.33
ABL1 P00519 1/20 0.33
CHEK1 O14757 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARA Q07869 1/20 0.31
BRAF P15056 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
SCHEMBL2464029 0.87 PIK3CA (0.37) TRPM5SLC6A2SLC6A4SLC6A3TRPA1
SCHEMBL2461256 0.77 AKT2 (0.43)
SCHEMBL16573979 0.74 TRPM5 (0.37) TRPM5SLC6A2SLC6A4SLC6A3TRPA1
SCHEMBL26260180 0.73 CYP1A2 (0.46) ABL1CHEK1CYP1A2CYP3A4CYP2D6
SCHEMBL2458539 0.72 DYRK1A (0.38) SLC6A2SLC6A4SLC6A3ABL1CHEK1
SCHEMBL2458237 0.72 ABL1 (0.40) TRPM5SLC6A2SLC6A4SLC6A3TRPA1
SCHEMBL26260213 0.72 ESR1 (0.41) ABL1CHEK1CYP1A2CYP3A4CYP2D6
SCHEMBL2457802 0.71 NISCH (0.45) TRPM5TRPA1ABL1CYP1A2CYP3A4
SCHEMBL2455990 0.70 ALDH1A1 (0.36) ABL1CHEK1CYP1A2CYP3A4CYP2D6
SCHEMBL2459020 0.69 CYP11B1 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-29 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-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY HGF, HDGF, MET TRPM5 4109/4885SLC6A2 3628/4885SLC6A4 3754/4885

“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.