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SCHEMBL10116337

SCHEMBL10116337

Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c2scnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ BRD4 O60885 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ MAPT P10636 9/20 0.39
▸ MEN1 O00255 9/20 0.39
▸ KMT2A Q03164 9/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ POLB P06746 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL10116601 0.86 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL10116287 0.83 NPC1 (0.42) ALDH1A1BRD4JAK1HDAC1MAPT
SCHEMBL10116338 0.81 ALDH1A1 (0.44) ALDH1A1BRD4JAK1HDAC1MAPT
SCHEMBL14424300 0.81 MEN1 (0.35) ALDH1A1HDAC1MAPTMEN1KMT2A
SCHEMBL13565826 0.80 BRD4 (0.33) ALDH1A1BRD4MAPTKDM4ENPC1
SCHEMBL10116340 0.79 ALDH1A1 (0.44) ALDH1A1BRD4JAK1HDAC1MAPT
SCHEMBL10116331 0.78 ALDH1A1 (0.46) ALDH1A1BRD4JAK1HDAC1MAPT
SCHEMBL14424659 0.77 MAPT (0.35) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL10116342 0.74 ALDH1A1 (0.41) ALDH1A1BRD4JAK1HDAC1MAPT
SCHEMBL13973579 0.74 ALDH1A1 (0.45) ALDH1A1BRD4JAK1HDAC1MAPT

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 10 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-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 4558/4885BRD4 1754/4885JAK1 1509/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885BRD4 1776/4885JAK1 1460/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885BRD4 1742/4885JAK1 1518/4885

“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.