SCHEMBL2458388

SCHEMBL2458388

c1c[nH]c(-c2ccc3snnc3c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.45
MTOR P42345 1/20 0.43
ADK P55263 1/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP19A1 P11511 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
THRB P10828 1/20 0.37
SMPD3 Q9NY59 1/20 0.36
HPGD P15428 3/20 0.35
MAPT P10636 4/20 0.35
TP53 P04637 3/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL2457413 0.88 NISCH (0.45) NISCHMTORADKALDH1A1KDM4E
SCHEMBL3064923 0.77 THRB (0.49) ALDH1A1KDM4ETHRBHPGDMAPT
SCHEMBL2458585 0.76 NISCH (0.46) NISCHMTORADKALDH1A1KDM4E
SCHEMBL2463964 0.73 ALDH1A1 (0.38) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2462412 0.73 THRB (0.38) ALDH1A1KDM4ETHRBHPGDMAPT
SCHEMBL2457682 0.72 NISCH (0.45) NISCHMTORADKALDH1A1KDM4E
SCHEMBL2457772 0.71 THRB (0.39) ALDH1A1KDM4ETHRBHPGDMAPT
SCHEMBL722191 0.71 NISCH (0.78) NISCHMTORADKALDH1A1KDM4E
SCHEMBL26260184 0.70 NISCH (0.59) NISCHMTORADKALDH1A1KDM4E
SCHEMBL2461409 0.70 DYRK1A (0.50) NISCHMTORADKALDH1A1KDM4E

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-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-29 US disclosed
WO-2010068287-A2 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY ANGION BIOMEDICA CORP. (US) 2010-06-17 WO 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 NISCH 3681/4885MTOR 657/4885ADK 1789/4885

“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.