SCHEMBL10133726

SCHEMBL10133726

COCOc1cccc(NC=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 4/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 3/20 0.38
FYN P06241 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL1187511 0.83 HTT (0.55) ALDH1A1HSD17B10MAPK1HTTPKM
SCHEMBL29959920 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1PKMMEN1
SCHEMBL1188678 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1PKMMEN1
SCHEMBL10387919 0.81 KMT2A (0.54) ALDH1A1MAPK1MEN1KMT2ANPC1
SCHEMBL14418358 0.80 ALDH1A1 (0.59) ALDH1A1MAPK1HTTPKMMEN1
SCHEMBL24861212 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPK1HTTPKM
SCHEMBL12882290 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPK1HTTPKM
SCHEMBL27730412 0.80 ALDH1A1 (0.42) ALDH1A1PKMMEN1KMT2ANPC1
SCHEMBL18088138 0.80 APP (0.55) ALDH1A1HSD17B10MAPK1HTTPKM
SCHEMBL12881943 0.79 THRB (0.58) MEN1KMT2ACYP2D6

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 5 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-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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 (2 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 ALDH1A1 4599/4885HSD17B10 1102/4885MAPK1 1345/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885HSD17B10 1002/4885MAPK1 1323/4885

“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.