SCHEMBL7119359

SCHEMBL7119359

ClCc1cccc2nccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 2/20 0.48
USP2 O75604 1/20 0.48
MAPK8 P45983 3/20 0.36
MAPK9 P45984 3/20 0.36
MAPK10 P53779 3/20 0.36
LOXL2 Q9Y4K0 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CISD1 Q9NZ45 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32

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
SCHEMBL18617684 0.79 MAPT (0.48) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL2340487 0.79 MAPT (0.48) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL8596016 0.79 MAPT (0.48) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL25846851 0.79 LOXL2 (0.52) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL3820241 0.79 MAPT (0.48) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL30002633 0.79 MAPT (0.48) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL11306631 0.77 KDM4E (0.33) MAPTKMT2AKDM4ELMNAHTT
SCHEMBL24788998 0.76 ALDH1A1 (0.46) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL17241883 0.76 MAPT (0.46) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL27328329 0.76 ALDH1A1 (0.46) ALDH1A1MAPTKMT2APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6573379-B2 Contacting 6-methyl quinoxaline with N- bromosuccinimide in the presence of a radical initiator in 1, 2-dichloroethane to form 6-bromomethyl quinoxaline AIR PRODUCTS AND CHEMICALS, INC. 2003-06-03 US disclosed
US-20030050475-A1 Method for preparing halomethyl heterocyclic compounds BURDENIUC JUAN JESUS (US) 2003-03-13 US disclosed
EP-1277742-A1 Method for preparing halomethyl heterocyclic compounds AIR PRODUCTS AND CHEMICALS, INC. (US) 2003-01-22 EP disclosed
US-6492517-B1 THE PRESENT INVENTION RELATES TO A METHOD FOR PREPARING 5- AND 6-HALOMETHYL QUINOXALINES IN PRESENCE OF A RADICAL INITIATOR IN A SOLVENT SELECTED FROM THE GROUP CONSISTING OF FLUOROBENZENE, DIFLUOROBENZENES, TRIFLUOROBENZENES, AIR PRODUCTS AND CHEMICALS, INC. 2002-12-10 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-20030050475-A1 Method for preparing halomethyl heterocyclic compounds HDHD5, HNMT, CBR3 ALDH1A1 2209/4885MAPT 4742/4885KMT2A 347/4885

“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.