SCHEMBL4167405

SCHEMBL4167405

Cc1cccn2c(Cl)c(C[C@@H]3CCCCN3C(=O)O)nc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 4/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36

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
SCHEMBL3470606 0.89 ALDH1A1 (0.39) ALDH1A1MAPK1THRBTP53MEN1
SCHEMBL3472074 0.88 SMN1; SMN2 (0.38) ALDH1A1MAPK1THRBTP53MEN1
SCHEMBL2124396 0.86 PDE8B (0.41) ALDH1A1TP53MEN1KMT2A
SCHEMBL2616583 0.82 HCRTR1 (0.54)
Hydrochloric Acid SCHEMBL4173226 0.82 HCRTR1 (0.53)
SCHEMBL8144530 0.82 THRB (0.33) ALDH1A1MAPK1THRBTP53MEN1
SCHEMBL2487836 0.81 HCRTR2 (0.43) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL2492729 0.81 HCRTR2 (0.43) ALDH1A1MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL2532203 0.80 HCRTR2 (0.43) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL2489769 0.80 HCRTR1 (0.43) ALDH1A1MAPK1

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-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 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-20090022670-A1 NOVEL COMPOUNDS UGT1A1, UGT2B7, ABCB1 ALDH1A1 125/4885MAPK1 3693/4885THRB 2376/4885

“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.