SCHEMBL10114654

SCHEMBL10114654

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccco3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HPGD P15428 5/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 1/20 0.51
TAAR1 Q96RJ0 3/20 0.49
APOBEC3G Q9HC16 1/20 0.47
PSMD14 O00487 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
USP2 O75604 1/20 0.44
THRB P10828 1/20 0.44
NR4A1 P22736 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
SCHEMBL10116428 0.89 LCLAT1 (0.51) KDM4EMEN1KMT2AHPGDCYP2C9
SCHEMBL10116386 0.86 RAB9A (0.48) KDM4EMEN1KMT2AHPGDCYP2C9
SCHEMBL10116691 0.83 TAAR1 (0.55) KDM4EMEN1KMT2AHPGDCYP2C9
SCHEMBL10116240 0.83 MEN1 (0.55) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL10114523 0.82 MEN1 (0.60) KDM4EMEN1KMT2AHPGDCYP2C9
SCHEMBL10116408 0.81 NPC1 (0.65) KDM4EMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL10116182 0.81 KMT2A (0.57) KDM4EMEN1KMT2AHPGDCACNA1B
SCHEMBL10116406 0.80 ALDH1A1 (0.41) KDM4EMEN1KMT2AHPGDCYP2C9
SCHEMBL10116387 0.80 POLB (0.49) MEN1KMT2AHPGDALDH1A1POLB
SCHEMBL10116298 0.80 NPC1 (0.61) KDM4EMEN1KMT2AHPGDCYP2C9

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

“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.