SCHEMBL19006326

SCHEMBL19006326

Nc1ncc2ccc(Cl)cc2c1/C=C/c1ccc(COCO)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.35
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
XBP1 P17861 1/20 0.31
TEC P42680 1/20 0.31
MAP4K4 O95819 1/20 0.31
LMNA P02545 1/20 0.31
CCR6 P51684 1/20 0.31
UBE2N P61088 1/20 0.31
ACHE P22303 1/20 0.31
PLG P00747 1/20 0.30
PLAU P00749 1/20 0.30
PLAT P00750 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL17469806 0.78 MAP4K4 (0.45) FLT3NPC1RAB9AKDM4EKMT2A
SCHEMBL19891638 0.77 FLT3 (0.44) FLT3NPC1RAB9AKDM4EKMT2A
SCHEMBL19891639 0.76 FLT3 (0.35) FLT3NPC1RAB9AKDM4EDHFR
SCHEMBL19877236 0.76 FLT3 (0.40) FLT3NPC1RAB9AKDM4EALDH1A1
SCHEMBL19877239 0.74 FLT3 (0.40) FLT3NPC1RAB9AKDM4EMAP4K4
SCHEMBL21103088 0.70 HPGD (0.47) FLT3NPC1RAB9AKDM4EKMT2A
SCHEMBL23599921 0.67 MEN1 (0.47) KMT2AMEN1ALDH1A1
SCHEMBL21103087 0.67 HRH3 (0.38) FLT3
SCHEMBL3328218 0.65 IDO1 (0.54) RAB9AKMT2ANPSR1
SCHEMBL18999190 0.64 MAP4K4 (0.45) NPC1RAB9AKDM4EKMT2ANPSR1

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-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK 2017-06-22 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-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B FLT3 2354/4885NPC1 1776/4885RAB9A 1465/4885

“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.