SCHEMBL10116213

SCHEMBL10116213

COc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
IDH1 O75874 1/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
RAB9A P51151 2/20 0.54
CYP3A4 P08684 1/20 0.54
KDM4E B2RXH2 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 5/20 0.52
MEN1 O00255 4/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL10116493 0.84 HDAC1 (0.57) HDAC1HDAC8HDAC6IDH1KMT2A
SCHEMBL10116220 0.84 SMN1; SMN2 (0.60) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL10116211 0.83 RXFP1 (0.55) HDAC1IDH1KMT2AALDH1A1NPC1
SCHEMBL10116212 0.82 NPC1 (0.65) KMT2AALDH1A1NPC1RAB9AMAPK1
SCHEMBL10116191 0.80 NPC1 (0.66) KMT2ANPC1RAB9AKDM4ENPSR1
SCHEMBL10116214 0.79 SMN1; SMN2 (0.58) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL10116301 0.79 MAPT (0.62) KMT2AALDH1A1NPC1CYP2C19RAB9A
SCHEMBL5757229 0.78 MAPT (0.65) HDAC1HDAC8HDAC6KMT2AALDH1A1
SCHEMBL13565675 0.78 HDAC8 (0.51) HDAC8IDH1KMT2AALDH1A1NPC1
SCHEMBL7950901 0.78 SMN1; SMN2 (0.71) HDAC1HDAC8HDAC6KMT2AALDH1A1

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 HDAC1 1995/4885HDAC8 706/4885HDAC6 1853/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 1703/4885HDAC8 634/4885HDAC6 1602/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 2021/4885HDAC8 743/4885HDAC6 1849/4885

“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.