SCHEMBL10116448

SCHEMBL10116448

CCOc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
XBP1 P17861 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL10116762 0.86 MAPT (0.46) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL12882057 0.85 MAPT (0.48) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL10116438 0.84 MAPT (0.46) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL10116351 0.82 KMT2A (0.51) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL13565871 0.81 UTS2R (0.42) MAPTSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL10116366 0.80 MAPT (0.51) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL10116212 0.77 NPC1 (0.65) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10116449 0.77 LMNA (0.48) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL10114489 0.76 TRPV1 (0.68) MAPTSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL10116240 0.76 MEN1 (0.55) MAPTSMN1; SMN2MEN1KMT2AHTT

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-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 (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 MAPT 3602/4885SMN1; SMN2 2213/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885SMN1; SMN2 2197/4885MEN1 2932/4885

“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.