SCHEMBL10114922

SCHEMBL10114922

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(-c3ccno3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ROCK2 O75116 4/20 0.42
ROCK1 Q13464 4/20 0.42
GRIA2 P42262 3/20 0.41
PKN2 Q16513 3/20 0.41
RPS6KA5 O75582 2/20 0.41
LRRK2 Q5S007 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
CHUK O15111 1/20 0.41
PRKD3 O94806 1/20 0.41
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
LTK P29376 1/20 0.41
CDK8 P49336 1/20 0.41
PRKX P51817 1/20 0.41
CDK5 Q00535 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41

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
SCHEMBL14424391 1.00 KMT2A (0.42) KMT2AMEN1ROCK2ROCK1GRIA2
SCHEMBL10114563 0.85 NPY5R (0.53) KMT2AMEN1NAMPTLMNAPTPN1
SCHEMBL14424255 0.85 NPY5R (0.53) KMT2AMEN1NAMPTLMNAPTPN1
SCHEMBL10116118 0.84 KMT2A (0.43) KMT2AMEN1GRIA2HTTTSHR
SCHEMBL10114949 0.82 WNT1 (0.48) KMT2AMEN1ROCK2ROCK1GRIA2
SCHEMBL13204431 0.82 WNT1 (0.48) KMT2AMEN1ROCK2ROCK1GRIA2
SCHEMBL10114572 0.82 TAAR1 (0.50) KMT2AGRIA2CDK2NAMPTNPSR1
SCHEMBL14424620 0.82 TAAR1 (0.50) KMT2AGRIA2CDK2NAMPTNPSR1
SCHEMBL10114025 0.81 MAPT (0.51) KMT2AMEN1GRIA2NAMPTNPSR1
SCHEMBL14424624 0.81 MAPT (0.51) KMT2AMEN1GRIA2NAMPTNPSR1

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 9 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-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 2876/4885ROCK2 1993/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885MEN1 2932/4885ROCK2 1730/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885MEN1 2926/4885ROCK2 2049/4885

“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.