SCHEMBL10113571

SCHEMBL10113571

CCCCOc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MAPK1 P28482 3/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
PKM P14618 2/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CASP6 P55212 1/20 0.43

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
SCHEMBL10113843 0.87 MAPT (0.50) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL17090510 0.85 MAPT (0.52) MAPTKMT2AMEN1MAPK1LMNA
SCHEMBL10113565 0.85 CNR2 (0.45) ALDH1A1
SCHEMBL10113573 0.84 HDAC3 (0.48) ALDH1A1
SCHEMBL10113497 0.80 L3MBTL1 (0.58) KMT2AMEN1LMNASMN1; SMN2L3MBTL1
SCHEMBL10113560 0.79 THRB (0.53) KMT2AMEN1LMNASMN1; SMN2POLB
SCHEMBL11441790 0.77 MAPT (0.60) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL8391902 0.76 MAPT (0.78) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL11659558 0.76 MAPT (0.64) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL13203819 0.75 MAPT (0.47) MAPTKMT2AMEN1CRHBPCRHR2

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 6 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-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-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 (2 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 MAPT 3602/4885KMT2A 2912/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885KMT2A 2768/4885MEN1 2932/4885

“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.