SCHEMBL10133341

SCHEMBL10133341

COc1c(NC=O)ccc2oc3ccccc3c12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.42
ABCG2 Q9UNQ0 4/20 0.41
PABPC1 P11940 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL28209457 0.74 MCL1 (0.48) MAOAABCG2CA12CA9NPC1
SCHEMBL13677597 0.73 MAOA (0.46) MAOAABCG2CA12CA9NPC1
SCHEMBL28967393 0.73 MAOA (0.56) MAOAABCG2NPC1MEN1KMT2A
SCHEMBL10114020 0.73 HPGD (0.46) CA12CA9MEN1KMT2AMAPT
SCHEMBL11934962 0.71 RAD52 (0.47) MAOANPC1MEN1KMT2AMAPT
SCHEMBL13397180 0.70 MAOA (0.43) MAOAABCG2CA12CA9NPC1
SCHEMBL11935119 0.70 CNR1 (0.39) MAOAABCG2NPC1MEN1KMT2A
SCHEMBL5737171 0.68 CA1 (0.45) MAOAABCG2CA12CA9NPC1
SCHEMBL8968161 0.67 CDC25B (0.53) PABPC1MEN1KMT2AHTTTSHR
SCHEMBL9846052 0.67 CA12 (0.50) MAOAABCG2CA12CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAOA 1282/4885ABCG2 2291/4885PABPC1 4471/4885

“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.