SCHEMBL12389869

SCHEMBL12389869

COC(=O)c1ccc2c(c1)C(c1ccc(N=O)cc1)=CCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.38
NPC1 O15118 6/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.36
MEN1 O00255 2/20 0.36
CASP3 P42574 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
PTGS2 P35354 1/20 0.36
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL12389080 0.88 CA12 (0.36) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL12365102 0.87 NPC1 (0.47) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL12365115 0.87 RAB9A (0.47) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL12365112 0.86 SLC6A3 (0.41) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL12389592 0.86 CA1 (0.48) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL12365101 0.86 PTGS1 (0.43) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL12365135 0.86 EGFR (0.49) RAB9AMAPTCA12CA9PTGS2
SCHEMBL13384273 0.85 ALDH1A1 (0.40) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL12365142 0.85 PTGS2 (0.46) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL12365116 0.83 RARA (0.41) RAB9ANPC1MAPTKMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E RAB9A 430/4885NPC1 1519/4885MAPT 463/4885

“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.