SCHEMBL10133349

SCHEMBL10133349

N#Cc1ccc(-c2ccc(NC=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.48
ALDH1A1 P00352 1/20 0.46
HDAC2 Q92769 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
KIF11 P52732 2/20 0.44
MMP2 P08253 3/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
NLRP3 Q96P20 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL183353 0.94 ALDH1A1 (0.52) ALDH1A1CA1CA2CA12CA9
SCHEMBL25546850 0.78 MMP3 (0.56) MMP3CA1CA2CA12CA9
SCHEMBL5941013 0.77 ALDH1A1 (0.48) ALDH1A1HDAC2LMNAHTT
SCHEMBL13063633 0.76 MMP3 (0.74) MMP3ALDH1A1HDAC2CA1CA2
SCHEMBL469386 0.76 ALDH1A1 (0.72) ALDH1A1HDAC2LMNAMAPTTSHR
SCHEMBL26246 0.76 MMP3 (0.74) MMP3ALDH1A1HDAC2CA1CA2
Water SCHEMBL11055485 0.76 MMP3 (0.74) MMP3ALDH1A1HDAC2CA1CA2
SCHEMBL396846 0.76 MMP3 (0.74) MMP3ALDH1A1HDAC2CA1CA2
SCHEMBL7232634 0.76 ALDH1A1 (0.52) ALDH1A1CA1CA2MMP2LMNA
SCHEMBL14418354 0.76 ALDH1A1 (0.73) ALDH1A1LMNAMAPTHTTKDM4E

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 MMP3 3425/4885ALDH1A1 4599/4885HDAC2 1458/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MMP3 3650/4885ALDH1A1 4517/4885HDAC2 1524/4885

“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.