SCHEMBL10116726

SCHEMBL10116726

Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc(-c2ccco2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 7/20 0.39
MAPT P10636 6/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
USP2 O75604 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.38
GRIA2 P42262 1/20 0.38

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
SCHEMBL10116406 0.85 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2LMNAALOX12
SCHEMBL10116691 0.80 TAAR1 (0.55) RAB9ANPC1LMNAKMT2AMEN1
SCHEMBL13566068 0.80 TP53 (0.39) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL10116743 0.77 LCLAT1 (0.51) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL10116604 0.75 RAB9A (0.41) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL10115463 0.73 ALDH1A1 (0.41) LMNAALDH1A1
SCHEMBL10116746 0.73 HDAC2 (0.46) RAB9ANPC1SMN1; SMN2LMNAALOX12
SCHEMBL10116460 0.73 NPC1 (0.67) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL13204429 0.73 ADORA2A (0.41) RAB9ANPC1LMNAKMT2AMEN1
SCHEMBL10114931 0.73 ADORA2A (0.41) RAB9ANPC1LMNAKMT2AMEN1

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