SCHEMBL10116374

SCHEMBL10116374

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
HTR2B P41595 1/20 0.52
EPHX2 P34913 3/20 0.51
EPHX1 P07099 2/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
ALOX12 P18054 1/20 0.50
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL10114519 0.95 KMT2A (0.60) KMT2ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10116376 0.90 HTR2B (0.56) KMT2AMEN1KDM4ERXFP1NPC1
SCHEMBL10114516 0.88 KMT2A (0.50) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL10116380 0.86 LMNA (0.58) KMT2AMEN1KDM4EHPGDSMN1; SMN2
SCHEMBL10116418 0.85 HDAC8 (0.64) SMN1; SMN2LMNAMAPTALDH1A1NAMPT
SCHEMBL10116403 0.85 LMNA (0.56) KMT2AMEN1RAB9AHPGDSMN1; SMN2
SCHEMBL13566054 0.85 HPGD (0.51) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL10116240 0.84 MEN1 (0.55) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL10116359 0.84 NPC1 (0.55) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL10116668 0.83 NPC1 (0.56) KMT2AMEN1KDM4ERXFP1NPC1

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 KMT2A 2912/4885MEN1 2876/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885MEN1 2932/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885MEN1 2926/4885KDM4E 1653/4885

“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.