SCHEMBL10144872

SCHEMBL10144872

Brc1ccc(-c2ccc3nc(C4CCCC4)[nH]c3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
GFER P55789 1/20 0.58
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
USP30 Q70CQ3 5/20 0.49
AAK1 Q2M2I8 3/20 0.48
NPY5R Q15761 4/20 0.47
ROCK2 O75116 1/20 0.45

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
SCHEMBL7600350 0.88 RAB9A (0.66) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL12763079 0.86 AAK1 (0.65) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL17048070 0.79 NPC1 (0.54) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL1519601 0.77 HTR2B (0.48) USP30AAK1ROCK2
SCHEMBL15746353 0.76 NPC1 (0.52) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL22091286 0.76 MAPT (0.94) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL15205690 0.75 NPY5R (0.52) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL15205692 0.75 NPY5R (0.52) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL27741589 0.75 NPC1 (0.68) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL14192726 0.74 RAB9A (0.52) NPC1RAB9AKDM4EMAPTGFER

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-20150038501-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8865756-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-10-21 US disclosed
US-20130296311-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 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-20130296311-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPC1 122/4885RAB9A 1482/4885KDM4E 4113/4885
US-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPC1 122/4885RAB9A 1482/4885KDM4E 4113/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 NPC1 122/4885RAB9A 1482/4885KDM4E 4113/4885

“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.