SCHEMBL10115448

SCHEMBL10115448

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
TSHR P16473 1/20 0.61
HSD17B10 Q99714 1/20 0.61
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 1/20 0.60
TAAR1 Q96RJ0 1/20 0.60
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 1/20 0.57
UBE2N P61088 1/20 0.57
GAA P10253 2/20 0.57
HTT P42858 1/20 0.57
MEN1 O00255 1/20 0.55
TDP1 Q9NUW8 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
SCHEMBL10115454 0.88 LMNA (0.64) ALDH1A1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL10115262 0.85 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10KMT2AKDM4E
SCHEMBL10113674 0.85 SMN1; SMN2 (0.59) ALDH1A1HSD17B10KMT2AKDM4ELMNA
SCHEMBL10133258 0.84 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4ETAAR1LMNA
SCHEMBL10115369 0.84 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4ETAAR1LMNA
SCHEMBL10113690 0.84 GAA (0.59) ALDH1A1HSD17B10KMT2AKDM4ELMNA
SCHEMBL17090472 0.83 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL10113712 0.82 SMN1; SMN2 (0.56) ALDH1A1HSD17B10KMT2AKDM4ELMNA
SCHEMBL10115436 0.81 ALDH1A1 (0.61) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL10115426 0.79 KMT2A (0.59) ALDH1A1TSHRHSD17B10KMT2ALMNA

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-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-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 ALDH1A1 4558/4885TSHR 163/4885HSD17B10 1161/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885TSHR 189/4885HSD17B10 1102/4885

“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.