SCHEMBL10115142

SCHEMBL10115142

Cc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 5/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL10115223 0.91 HDAC6 (0.48) KMT2AALDH1A1POLBLMNASMN1; SMN2
SCHEMBL13204548 0.86 GSTO1 (0.47) KMT2AALDH1A1LMNAHDAC3HDAC4
SCHEMBL10115017 0.85 F2 (0.46) KMT2AALDH1A1POLBLMNASMN1; SMN2
SCHEMBL10115214 0.84 AR (0.47) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL10115121 0.84 GSTO1 (0.47) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL10113406 0.84 HDAC3 (0.56) KMT2AALDH1A1POLBLMNASMN1; SMN2
SCHEMBL12882442 0.84 KMT2A (0.56) KMT2AALDH1A1POLBLMNASMN1; SMN2
SCHEMBL10115136 0.83 HDAC6 (0.50) KMT2AALDH1A1POLBLMNAHDAC3
SCHEMBL10115026 0.83 ALDH1A1 (0.68) KMT2AALDH1A1POLBLMNASMN1; SMN2
SCHEMBL13565957 0.83 ALDH1A1 (0.42) KMT2AALDH1A1POLBLMNASMN1; SMN2

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 9 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-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 KMT2A 2912/4885ALDH1A1 4558/4885POLB 4727/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885ALDH1A1 4599/4885POLB 4751/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885ALDH1A1 4517/4885POLB 4721/4885

“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.