SCHEMBL10115058

SCHEMBL10115058

CCCN1C(=O)c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
HPGD P15428 7/20 0.56
KDM4E B2RXH2 6/20 0.56
HSD17B10 Q99714 2/20 0.56
KMT2A Q03164 2/20 0.46
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL10115025 0.92 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL10114461 0.90 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL10114639 0.87 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL10115082 0.85 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL13565320 0.84 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL10114448 0.83 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL10115064 0.83 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL10115065 0.83 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL13204509 0.82 KDM4E (0.47) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL10114812 0.81 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EHSD17B10KMT2A

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 7 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-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 4558/4885HPGD 3487/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885HPGD 3475/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885HPGD 3476/4885KDM4E 1653/4885

“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.