SCHEMBL10113809

SCHEMBL10113809

COc1ccc(CCNC(=O)CCCCNS(=O)(=O)C(C)C)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.56
GRK2 P25098 1/20 0.56
ALPL P05186 1/20 0.54

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
SCHEMBL23417617 0.86 ALDH1A1 (0.77) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL13203894 0.85 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL23392535 0.83 MAPT (0.77) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL13565559 0.83 SLC2A1 (0.58) ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL27407288 0.81 EPHX2 (0.74) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7274811 0.81 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL10113869 0.81 CYP1A2 (0.49) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL10115378 0.81 NPC1 (0.56) ALDH1A1MAPTSMN1; SMN2LMNAALPL
SCHEMBL7278495 0.80 PLAAT3 (0.74) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL8269676 0.80 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1

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 ALDH1A1 4558/4885MAPT 3602/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885MAPT 3367/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885MAPT 3683/4885SMN1; SMN2 2251/4885

“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.