SCHEMBL5372123

SCHEMBL5372123

CNc1c(N)cc(Cl)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 6/20 0.37
ABL1 P00519 1/20 0.36
PGK1 P00558 1/20 0.36
ERN1 O75460 1/20 0.36
CYP3A4 P08684 3/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TRPV4 Q9HBA0 1/20 0.33

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
SCHEMBL24488470 0.77 ALDH1A1 (0.36) GAANPC1ALDH1A1CYP3A4TSHR
SCHEMBL29644394 0.77 POLB (0.44) GAANPC1ALDH1A1ERN1CYP3A4
SCHEMBL16831742 0.77 POLB (0.44) GAANPC1ALDH1A1ERN1CYP3A4
SCHEMBL16198301 0.75 GAA (0.48) GAANPC1ALDH1A1ERN1CYP3A4
SCHEMBL10945773 0.75 GAA (0.48) GAANPC1ALDH1A1ABL1ERN1
SCHEMBL14531753 0.74 CYP3A4 (0.45) GAAALDH1A1ABL1CYP3A4TSHR
SCHEMBL21307506 0.73 ALDH1A1 (0.46) ALDH1A1TSHRTDP1KDM4E
SCHEMBL17744292 0.72 ERN1 (0.55) GAANPC1ALDH1A1ABL1ERN1
SCHEMBL17057702 0.72 CYP3A4 (0.34) GAAALDH1A1ABL1CYP3A4TSHR
SCHEMBL30627393 0.72 CYP3A4 (0.34) GAAALDH1A1ABL1CYP3A4TSHR

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-7301036-B2 Cyclic guanidines, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-11-27 US disclosed
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-05-10 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-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use GCGR, GLP1R, GCG GAA 449/4885NPC1 2228/4885ALDH1A1 3777/4885

“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.