SCHEMBL10113792

SCHEMBL10113792

Cc1ccc2cc(NC(=O)CCCCN[S+]([O-])C(C)C)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
KDM4E B2RXH2 1/20 0.51
HDAC6 Q9UBN7 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
TERT O14746 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL12882573 0.80 HDAC6 (0.53) NPC1RAB9AKDM4EHDAC6HDAC1
SCHEMBL13973207 0.79 NPC1 (0.60) NPC1RAB9AKDM4EHDAC6HDAC1
SCHEMBL10113670 0.77 HDAC1 (0.57) NPC1RAB9AKDM4EHDAC6HDAC1
SCHEMBL10113774 0.77 ALDH1A1 (0.42) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL13973255 0.76 HDAC4 (0.57) KDM4EHDAC6HDAC1HDAC2HDAC3
SCHEMBL10113518 0.76 HDAC6 (0.53) NPC1RAB9AKDM4EHDAC6HDAC1
SCHEMBL28623250 0.76 RAB9A (0.66) NPC1RAB9AKDM4ETERTMEN1
SCHEMBL29728207 0.74 NPC1 (0.67) NPC1RAB9AKDM4ETERTMEN1
SCHEMBL28787648 0.74 NPC1 (0.67) NPC1RAB9AKDM4ETERTMEN1
SCHEMBL10113647 0.73 NPC1 (0.56) NPC1RAB9AHDAC6HDAC1HDAC2

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885RAB9A 3651/4885KDM4E 1627/4885

“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.