SCHEMBL10116211

SCHEMBL10116211

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 2/20 0.50
HDAC1 Q13547 2/20 0.49
SERPINE1 P05121 1/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL10116191 0.84 NPC1 (0.66) KDM4ENPSR1MAPTRAB9ANPC1
SCHEMBL10116213 0.83 HDAC1 (0.57) KDM4ENPSR1MAPTHDAC1RAB9A
SCHEMBL10116491 0.82 KDM4E (0.55) RXFP1KDM4ENPSR1MAPTHDAC1
SCHEMBL10116221 0.81 ADORA3 (0.64) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL10116210 0.81 MAPT (0.61) KDM4EMAPTRAB9ANPC1CYP1A2
SCHEMBL7297665 0.80 SERPINE1 (0.72) RXFP1KDM4ENPSR1MAPTSERPINE1
SCHEMBL10116240 0.79 MEN1 (0.55) KDM4ENPSR1MAPTRAB9ANPC1
SCHEMBL10116203 0.79 ALDH1A1 (0.54) RXFP1KDM4ENPSR1MAPTHDAC1
SCHEMBL24435805 0.78 MCL1 (0.60) MAPTPDK1PDK2PDK3PDK4
SCHEMBL10116341 0.78 NPC1 (0.57) MAPTHDAC1RAB9ANPC1CYP1A2

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