SCHEMBL10113820

SCHEMBL10113820

Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.56
▸ GALR3 O60755 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ALDH1A1 P00352 7/20 0.50
▸ KDM4E B2RXH2 6/20 0.50
▸ HPGD P15428 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ OPRK1 P41145 1/20 0.48
▸ CYP2C19 P33261 2/20 0.45
▸ IGF1R P08069 1/20 0.43
▸ UTS2R Q9UKP6 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ LMNA P02545 2/20 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
SCHEMBL5459383 0.86 HDAC6 (0.59) HTTGALR3RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10113805 0.86 ALDH1A1 (0.48) RAB9ASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL10113547 0.85 HTT (0.56) HTTGALR3RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13565873 0.84 CYP2C19 (0.55) OPRK1CYP2C19
SCHEMBL10113823 0.80 ALDH1A1 (0.57) HTTRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL16596179 0.80 ALDH1A1 (0.71) HTTGALR3RAB9ASMN1; SMN2ALDH1A1
SCHEMBL18332920 0.80 ALDH1A1 (0.72) HTTGALR3RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19308467 0.78 HTT (0.73) HTTGALR3RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10113773 0.78 HDAC6 (0.46) SMN1; SMN2ALDH1A1KDM4EGAAMEN1
SCHEMBL10115297 0.77 HDAC6 (0.67) ALDH1A1KDM4EHDAC6LMNACYP3A4

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 HTT 2081/4885GALR3 23/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTT 1904/4885GALR3 16/4885RAB9A 3651/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTT 2095/4885GALR3 21/4885RAB9A 3820/4885

“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.

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