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SCHEMBL10115966

SCHEMBL10115966

CC(C)c1ccc(N2C(=O)c3ccc(NC(=O)N4CCC(NS(=O)(=O)C(C)C)CC4)cc3C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PANK3 Q9H999 6/20 0.43
▸ MAPT P10636 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TRPV1 Q8NER1 3/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL10115965 0.93 ALDH1A1 (0.53) ALDH1A1POLBHPGDMAPTTP53
SCHEMBL10115967 0.91 KMT2A (0.51) ALDH1A1POLBHPGDMAPTTP53
SCHEMBL12882650 0.89 PANK3 (0.44) ALDH1A1POLBHPGDPANK3MAPT
SCHEMBL10116176 0.89 EPHX2 (0.44) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL10115934 0.86 ALDH1A1 (0.49) ALDH1A1POLBHPGDMAPTSMN1; SMN2
SCHEMBL10115979 0.85 LMNA (0.40) ALDH1A1POLBHPGDMAPTTP53
SCHEMBL10115852 0.84 NPC1 (0.57) ALDH1A1PANK3MAPTTP53SMN1; SMN2
SCHEMBL10115980 0.81 ALDH1A1 (0.58) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL12882645 0.80 POLB (0.53) ALDH1A1POLBHPGDMAPTTP53
SCHEMBL10114807 0.79 ALDH1A1 (0.54) ALDH1A1POLBHPGDMAPTSMN1; SMN2

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 ALDH1A1 4558/4885POLB 4727/4885HPGD 3487/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885POLB 4751/4885HPGD 3475/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885POLB 4721/4885HPGD 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.