SCHEMBL893363

SCHEMBL893363

O=C(O)N(O)CCCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.62
KDM4A O75164 1/20 0.59
KDM5A P29375 1/20 0.59
KDM4C Q9H3R0 1/20 0.59
PHF8 Q9UPP1 1/20 0.59
KDM2A Q9Y2K7 1/20 0.59
SIGMAR1 Q99720 5/20 0.56
MAPT P10636 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC3 O15379 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL15312924 0.92 ALOX5 (0.71) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL1520687 0.84 ALOX5 (0.65) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL28929226 0.80 SIGMAR1 (0.64) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL27210146 0.80 SIGMAR1 (0.64) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL28457555 0.80 SIGMAR1 (0.64) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL18758200 0.79 SIGMAR1 (0.62) ALOX5KDM4AKDM5AKDM4CPHF8
Toluene SCHEMBL3904976 0.79 REN (0.53) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL27210158 0.78 SIGMAR1 (0.61) ALOX5SIGMAR1MAPTRXFP1ADRA1A
SCHEMBL25337443 0.78 SIGMAR1 (0.52) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL1955414 0.78 SIGMAR1 (0.56) ALOX5KDM4AKDM5AKDM4CPHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2013-05-23 US disclosed
US-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-04-05 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 (2 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-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR ALOX5 215/4885KDM4A 1020/4885KDM5A 792/4885
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR ALOX5 215/4885KDM4A 1020/4885KDM5A 792/4885

“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.