SCHEMBL10116491

SCHEMBL10116491

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
RXFP1 Q9HBX9 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 3/20 0.50
HDAC1 Q13547 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
ACLY P53396 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL10116468 0.84 KMT2A (0.60) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL10116493 0.83 HDAC1 (0.57) KDM4ENPSR1MAPTHDAC1MEN1
SCHEMBL10116211 0.82 RXFP1 (0.55) KDM4ERXFP1NPSR1MAPTHDAC1
SCHEMBL10116503 0.81 ADORA3 (0.64) KDM4EMAPTMEN1KMT2ARAB9A
SCHEMBL10116494 0.81 NPC1 (0.61) KDM4EMAPTMEN1KMT2AEPHX2
SCHEMBL10116481 0.79 ALDH1A1 (0.51) KDM4ENPSR1MAPTHDAC1MEN1
SCHEMBL10116616 0.78 LMNA (0.60) KDM4EMAPTHDAC1MEN1KMT2A
SCHEMBL13565237 0.76 MRGPRX4 (0.44) MAPTMEN1KMT2AEPHX2NR1H4
SCHEMBL10116464 0.76 LMNA (0.76) KDM4EMAPTNR1H4RAB9ANPC1
SCHEMBL10116728 0.76 MAPT (0.46) KDM4EMAPTMEN1KMT2AEPHX2

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 KDM4E 1668/4885RXFP1 54/4885NPSR1 7/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1627/4885RXFP1 53/4885NPSR1 8/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1653/4885RXFP1 54/4885NPSR1 7/4885

“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.