SCHEMBL2856476

SCHEMBL2856476

NN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CCF)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.82
DRD3 P35462 1/20 0.69
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
KDM4E B2RXH2 5/20 0.63
HPGD P15428 4/20 0.63
NPC1 O15118 1/20 0.63
HSD17B10 Q99714 3/20 0.62
LMNA P02545 3/20 0.61
HTT P42858 3/20 0.61
TSHR P16473 2/20 0.61
BRD4 O60885 1/20 0.61
CYP2J2 P51589 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GAA P10253 1/20 0.57
RAD52 P43351 1/20 0.57
HIF1A Q16665 1/20 0.56
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PIK3CG P48736 1/20 0.54

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
SCHEMBL29388444 0.90 ALDH1A1 (1.00) ALDH1A1DRD3MEN1KMT2AKDM4E
SCHEMBL7809357 0.90 ALDH1A1 (1.00) ALDH1A1DRD3MEN1KMT2AKDM4E
SCHEMBL28334653 0.87 ALDH1A1 (0.78) ALDH1A1DRD3MEN1KMT2AKDM4E
SCHEMBL10915570 0.87 ALDH1A1 (0.80) ALDH1A1DRD3MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL11023756 0.86 ALDH1A1 (0.79) ALDH1A1DRD3MEN1KMT2AKDM4E
SCHEMBL2854967 0.85 ALDH1A1 (0.72) ALDH1A1DRD3MEN1KMT2AKDM4E
SCHEMBL9045019 0.83 TOP1 (0.71) ALDH1A1DRD3MEN1KMT2AKDM4E
SCHEMBL9667689 0.83 ALDH1A1 (0.72) ALDH1A1DRD3MEN1KMT2AKDM4E
SCHEMBL15282135 0.83 ALDH1A1 (0.86) ALDH1A1DRD3MEN1KMT2AKDM4E
SCHEMBL11391733 0.83 ALDH1A1 (0.86) ALDH1A1DRD3MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273787-A1 KYNURENINE-AMINOTRANSFERASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2010-10-28 US claimed
EP-2222662-A2 KYNURENINE-AMINOTRANSFERASE INHIBITORS University of Maryland, Baltimore (US) 2010-09-01 EP claimed
WO-2009064836-A2 KYNURENINE-AMINOTRANSFERASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2009-05-22 WO claimed
US-20100273787-A1 KYNURENINE-AMINOTRANSFERASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2010-10-28 US disclosed
EP-2222662-A2 KYNURENINE-AMINOTRANSFERASE INHIBITORS University of Maryland, Baltimore (US) 2010-09-01 EP disclosed
WO-2009064836-A2 KYNURENINE-AMINOTRANSFERASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2009-05-22 WO 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-20100273787-A1 KYNURENINE-AMINOTRANSFERASE INHIBITORS KYNU, AADAT, KMO ALDH1A1 616/4885DRD3 1261/4885MEN1 3452/4885

“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.