SCHEMBL10116346

SCHEMBL10116346

Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c(C(=O)NC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
ACLY P53396 1/20 0.41
HPGD P15428 2/20 0.39
MAPK10 P53779 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 6/20 0.39
LMNA P02545 3/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL10116717 0.87 HPGD (0.41) ALDH1A1ACLYHPGDMAPK10MEN1
SCHEMBL10116323 0.86 HPGD (0.47) ALDH1A1ACLYHPGDMAPK10MEN1
SCHEMBL17090464 0.83 LMNA (0.35) ALDH1A1ACLYMAPK1MAPTLMNA
SCHEMBL10116402 0.83 LMNA (0.43) ALDH1A1ACLYHPGDMAPK10MEN1
SCHEMBL10116414 0.81 MAPT (0.49) ALDH1A1ACLYMEN1KMT2AKDM4E
SCHEMBL10116283 0.81 ACLY (0.46) ALDH1A1ACLYHPGDMEN1KMT2A
SCHEMBL10114588 0.80 LMNA (0.53) ALDH1A1ACLYMEN1KMT2AKDM4E
SCHEMBL14424409 0.80 KDM4E (0.38) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL10116404 0.79 ACLY (0.42) ALDH1A1ACLYHPGDMEN1KMT2A
SCHEMBL10116350 0.78 ACLY (0.47) ALDH1A1ACLYHPGDMEN1KMT2A

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 7 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-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
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 (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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R ALDH1A1 4558/4885ACLY 3436/4885HPGD 3487/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885ACLY 3437/4885HPGD 3475/4885

“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.