SCHEMBL3701531

SCHEMBL3701531

CC(C)c1nc2ccc(Cl)cc2c(=O)n1N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.41
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3823391 0.84 MEN1 (0.47) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL3708958 0.82 TDO2 (0.44) KDM4ELMNARECQLCYP2D6
SCHEMBL5928807 0.80 KDM4E (0.61) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL3705568 0.78 KDM4E (0.63) KMT2AKDM4ELMNAMAPTRECQL
SCHEMBL28675717 0.71 SMN1; SMN2 (0.68) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL26705536 0.71 MAT2A (0.43) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL17334557 0.70 NPC1 (0.39) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL17334554 0.70 NPC1 (0.39) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL9919074 0.69 NPC1 (0.54) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL6309836 0.68 EGFR (0.46) KDM4ELMNAHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609674-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067824-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122890-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 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-20120122890-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNQ3 MEN1 617/4885KMT2A 432/4885KDM4E 854/4885

“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.