SCHEMBL10115178

SCHEMBL10115178

CC(C)NS(=O)(=O)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
LMNA P02545 3/20 0.59
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
NAMPT P43490 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL10115259 0.87 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10115436 0.86 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10114996 0.83 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10115003 0.83 TSHR (0.52) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11935686 0.82 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10115180 0.82 KMT2A (0.59) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10115092 0.82 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2AHDAC6
SCHEMBL10115226 0.82 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ACA1
SCHEMBL10115026 0.82 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10113440 0.82 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2ASMN1; 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 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 4558/4885LMNA 1925/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885MEN1 2932/4885

“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.