SCHEMBL10116668

SCHEMBL10116668

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HPGD P15428 2/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
EPHX2 P34913 3/20 0.53
POLB P06746 1/20 0.52
HTR2B P41595 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 3/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
EPHX1 P07099 2/20 0.49
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL10116638 0.95 KMT2A (0.60) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL10116670 0.90 HTR2B (0.56) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL10116642 0.88 KMT2A (0.50) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL10116675 0.86 LMNA (0.58) SMN1; SMN2HPGDKMT2AMEN1KDM4E
SCHEMBL10116705 0.85 PTPN1 (0.52) SMN1; SMN2HPGDKMT2AMEN1KDM4E
SCHEMBL10116740 0.85 HDAC8 (0.64) SMN1; SMN2KDM4ELMNAMAPTALDH1A1
SCHEMBL13565360 0.85 HPGD (0.51) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL10116374 0.83 KMT2A (0.55) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL10116688 0.82 LMNA (0.48) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL10116656 0.81 HTT (0.46) NPC1RAB9ASMN1; SMN2HPGDKMT2A

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 NPC1 1435/4885RAB9A 3699/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885RAB9A 3651/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1462/4885RAB9A 3820/4885SMN1; SMN2 2251/4885

“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.