SCHEMBL10113615

SCHEMBL10113615

CC(=O)c1cccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
KMT2A Q03164 6/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
PARP1 P09874 1/20 0.51
PARP10 Q53GL7 1/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL10113624 0.91 MEN1 (0.68) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL10113438 0.89 MEN1 (0.59) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL10115285 0.87 MEN1 (0.47) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL10113630 0.87 MEN1 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL10113183 0.87 EPHX2 (0.54) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL10113561 0.87 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1CYP1A2LMNA
SCHEMBL10113496 0.86 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL10114985 0.86 KMT2A (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL10113445 0.86 HDAC6 (0.61) ALDH1A1KMT2AMEN1LMNAPARP1
SCHEMBL13565413 0.85 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPTSMN1; 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 6 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-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 4558/4885KMT2A 2912/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KMT2A 2768/4885MEN1 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.