SCHEMBL10116541

SCHEMBL10116541

Cc1ccc(N2C(=O)c3ccc(NC(=O)c4ccc(NS(=O)(=O)C(C)C)cc4)cc3C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 3/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CA9 Q16790 3/20 0.49
CA1 P00915 2/20 0.49
CA12 O43570 1/20 0.49
CA2 P00918 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL10116537 0.92 LMNA (0.52) POLBALDH1A1HPGDRAB9AMEN1
SCHEMBL10116559 0.92 ALDH1A1 (0.57) POLBALDH1A1HPGDRAB9AMEN1
SCHEMBL10116769 0.90 RAB9A (0.48) POLBALDH1A1HPGDRAB9AMEN1
SCHEMBL10116529 0.85 ALDH1A1 (0.54) POLBALDH1A1HPGDRAB9AMEN1
SCHEMBL10116265 0.85 POLB (0.59) POLBALDH1A1HPGDRAB9AMEN1
SCHEMBL10116556 0.84 ACE2 (0.46) POLBALDH1A1HPGDRAB9AMEN1
SCHEMBL10116460 0.81 NPC1 (0.67) ALDH1A1HPGDRAB9AMEN1KMT2A
SCHEMBL10116267 0.80 LMNA (0.50) POLBALDH1A1HPGDRAB9AMEN1
SCHEMBL13566066 0.80 ALDH1A1 (0.48) POLBALDH1A1HPGDRAB9ACA9
SCHEMBL10116555 0.78 ALDH1A1 (0.63) POLBALDH1A1HPGDRAB9AMEN1

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 11 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-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-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-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
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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 (3 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R POLB 4727/4885ALDH1A1 4558/4885HPGD 3487/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4751/4885ALDH1A1 4599/4885HPGD 3475/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4721/4885ALDH1A1 4517/4885HPGD 3476/4885

“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.