SCHEMBL6520652

SCHEMBL6520652

Nc1ccc(Oc2ccc(-c3ccc(/C=C/c4nc(-c5ccc(Cl)cc5Cl)cn4Cc4ccc(C(=O)O)cc4)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SRD5A2 P31213 1/20 0.37
ENPP2 Q13822 1/20 0.37
CHEK2 O96017 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
P2RX3 P56373 3/20 0.35
PIK3CG P48736 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
NR4A2 P43354 1/20 0.34
MARS1 P56192 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL6520655 1.00 NPC1 (0.42) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1481480 0.93 KDM4E (0.44) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1481483 0.93 KDM4E (0.44) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1480792 0.91 DRD2 (0.44) NPC1RAB9AHDAC6P2RX3PIK3CG
SCHEMBL1480789 0.91 DRD2 (0.44) NPC1RAB9AHDAC6P2RX3PIK3CG
SCHEMBL1480229 0.89 KDM4E (0.40) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1480227 0.89 KDM4E (0.40) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1481171 0.88 SMN1; SMN2 (0.43) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1481174 0.88 SMN1; SMN2 (0.43) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1482031 0.88 KDM4E (0.43) NPC1RAB9AKDM4ECRHBPCRHR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE NPC1 3228/4885RAB9A 3396/4885KDM4E 733/4885

“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.