SCHEMBL4540262

SCHEMBL4540262

Clc1cnc2cc(I)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
HRH4 Q9H3N8 2/20 0.34
PARP1 P09874 1/20 0.33
NOS1 P29475 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
APP P05067 2/20 0.32
TLR9 Q9NR96 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL27259595 0.92 ALDH1A1 (0.52) ALDH1A1PARP1NOS1ADORA3APP
SCHEMBL29580471 0.79 ALDH1A1 (0.55) ALDH1A1HRH4ADORA3NPC1RAB9A
SCHEMBL346120 0.79 ALDH1A1 (0.55) ALDH1A1HRH4ADORA3NPC1RAB9A
SCHEMBL23190280 0.79 NOS1 (0.35) PARP1NOS1APPTLR9
Ammonia Solution, Strong SCHEMBL28148393 0.78 ALDH1A1 (0.53) ALDH1A1HRH4ADORA3NPC1RAB9A
SCHEMBL1258593 0.76 ALDH1A1 (0.52) ALDH1A1HRH4NPC1RAB9ASMN1; SMN2
SCHEMBL780275 0.76 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2
SCHEMBL4541045 0.76 CCNB2 (0.37) ALDH1A1HRH4PARP1NOS1APP
SCHEMBL9980461 0.76 ALDH1A1 (0.42) ALDH1A1ADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL1664655 0.76 ALDH1A1 (0.52) ALDH1A1NPC1

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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP 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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR ALDH1A1 1755/4885HRH4 32/4885PARP1 915/4885

“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.