SCHEMBL6237623

SCHEMBL6237623

Cc1c(C(=O)NN)oc2ccc(Cl)cc12

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.68
KCNH2 Q12809 1/20 0.65
PKM P14618 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
RAB9A P51151 1/20 0.60
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 2/20 0.52
MAPT P10636 2/20 0.52
OPRK1 P41145 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.49
CLK1 P49759 1/20 0.49
GFER P55789 1/20 0.49
MAOB P27338 1/20 0.48

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
SCHEMBL6238414 0.85 KCNH2 (0.63) KCNH2PKMSMN1; SMN2RAB9AKDM4E
SCHEMBL6239402 0.82 KDM4E (0.61) MCL1KCNH2PKMRXFP1SMN1; SMN2
SCHEMBL4615856 0.81 MCL1 (1.00) MCL1KCNH2PKMRXFP1SMN1; SMN2
SCHEMBL14648196 0.81 MCL1 (0.77) MCL1KCNH2PKMRXFP1SMN1; SMN2
SCHEMBL11686876 0.81 MCL1 (0.77) MCL1KCNH2PKMRXFP1SMN1; SMN2
SCHEMBL15619301 0.79 MCL1 (0.77) MCL1KCNH2PKMRXFP1SMN1; SMN2
SCHEMBL6240044 0.78 NPC1 (0.63) KCNH2RXFP1SMN1; SMN2RAB9AKDM4E
SCHEMBL9378819 0.78 KDM4E (0.69) MCL1KCNH2SMN1; SMN2RAB9AKDM4E
SCHEMBL23665874 0.78 MCL1 (0.70) MCL1KCNH2PKMRXFP1SMN1; SMN2
SCHEMBL11099277 0.78 MCL1 (0.70) MCL1KCNH2PKMRXFP1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
EP-1320523-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Warner-Lambert Company LLC (US) 2003-06-25 EP disclosed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 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-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT MCL1 980/4885KCNH2 3383/4885PKM 884/4885

“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.