SCHEMBL14944840

SCHEMBL14944840

CC(=O)CCN(O)C(=O)CN(C)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 3/20 0.58
KDM4C Q9H3R0 3/20 0.58
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX5 P09917 4/20 0.44
KDM5A P29375 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5479984 0.82 CARM1 (0.56) KDM4AKDM4CNPC1RAB9AKMT2A
SCHEMBL3106474 0.79 RAB9A (0.53) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL8547157 0.76 SIGMAR1 (0.58) KDM4AKDM4CNPC1RAB9AALDH1A1
SCHEMBL11273441 0.74 ALDH1A1 (0.57) NPC1RAB9AKMT2AALDH1A1CA12
SCHEMBL10150374 0.74 ALDH1A1 (0.57) NPC1RAB9AKMT2AALDH1A1CA12
SCHEMBL304452 0.73 RAB9A (0.55) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL13888848 0.73 RAB9A (0.51) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL8189756 0.73 ALOX5 (0.62) NPC1RAB9AKMT2AALDH1A1ALOX5
Hydrochloric Acid SCHEMBL5760483 0.72 RAB9A (0.53) KDM4AKDM4CNPC1RAB9AKMT2A
SCHEMBL6444116 0.72 RAB9A (0.53) NPC1RAB9AKMT2AALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871789-B2 Method of preventing or treating viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-28 US disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 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-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A KDM4A 9/4885KDM4C 20/4885NPC1 3875/4885

“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.