SCHEMBL10112840

SCHEMBL10112840

CCCCc1ccc(NC(=O)CCCCN[S+]([O-])C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ENPP2 Q13822 1/20 0.47
DGAT2 Q96PD7 1/20 0.47
SIRT2 Q8IXJ6 2/20 0.47
SIRT1 Q96EB6 2/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 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
SCHEMBL10113004 0.99 HPGD (0.55) HPGDNPC1RAB9APOLBSMN1; SMN2
SCHEMBL10113022 0.96 HPGD (0.57) HPGDNPC1RAB9APOLBSMN1; SMN2
SCHEMBL10113647 0.84 NPC1 (0.56) HPGDNPC1RAB9APOLBSMN1; SMN2
SCHEMBL10113388 0.83 NPC1 (0.47) HPGDNPC1RAB9APOLBSMN1; SMN2
SCHEMBL13972780 0.83 HDAC3 (0.55) HPGDPOLBSMN1; SMN2ALDH1A1HDAC3
SCHEMBL13438606 0.81 HPGD (0.42) HPGDNPC1RAB9APOLBSMN1; SMN2
SCHEMBL10113379 0.81 HDAC1 (0.57) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13438599 0.80 NPC1 (0.41) HPGDNPC1RAB9APOLBSMN1; SMN2
SCHEMBL13564731 0.80 NPC1 (0.41) HPGDNPC1RAB9APOLBSMN1; SMN2
SCHEMBL10113476 0.80 SIRT2 (0.55) HPGDNPC1RAB9APOLBSMN1; 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 12 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-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 HPGD 3487/4885NPC1 1435/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HPGD 3475/4885NPC1 1353/4885RAB9A 3651/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HPGD 3476/4885NPC1 1462/4885RAB9A 3820/4885

“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.