SCHEMBL10116420

SCHEMBL10116420

Cc1cc(-c2ncco2)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPK14 Q16539 1/20 0.41
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40
TRPV1 Q8NER1 3/20 0.39
BRD4 O60885 1/20 0.39
JAK1 P23458 1/20 0.39
HDAC1 Q13547 1/20 0.39
NTRK1 P04629 1/20 0.39
EDNRA P25101 1/20 0.38
NPC1 O15118 1/20 0.38
CTPS1 P17812 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
SCHEMBL10116400 0.91 MAPT (0.43) MAPTSMN1; SMN2RXFP1ALDH1A1LMNA
SCHEMBL10114612 0.87 TRPV1 (0.46) TRPV1
SCHEMBL10116731 0.86 MAPT (0.44) MAPTSMN1; SMN2RXFP1ALDH1A1LMNA
SCHEMBL10116386 0.82 RAB9A (0.48) MAPTSMN1; SMN2ALDH1A1LMNATP53
SCHEMBL13565042 0.81 EDNRA (0.37) EDNRA
SCHEMBL10116739 0.79 MAPT (0.43) MAPTSMN1; SMN2RXFP1ALDH1A1TP53
SCHEMBL10116436 0.77 HDAC1 (0.46) MAPTALDH1A1LMNARAB9AHDAC1
SCHEMBL10116297 0.77 ALDH1A1 (0.57) MAPTRXFP1ALDH1A1LMNATRPV1
SCHEMBL10116355 0.77 ALDH1A1 (0.69) MAPTSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL10115209 0.75 SMN1; SMN2 (0.42) MAPTSMN1; SMN2RXFP1ALDH1A1LMNA

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 MAPT 3602/4885SMN1; SMN2 2213/4885RXFP1 54/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885SMN1; SMN2 2197/4885RXFP1 53/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885SMN1; SMN2 2251/4885RXFP1 54/4885

“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.