SCHEMBL14745600

SCHEMBL14745600

CCC/C(=N\C(C)(C)C)c1ccc2c(c1)cc(C)n2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.46
KMT2A Q03164 12/20 0.46
KDM4E B2RXH2 8/20 0.46
HPGD P15428 7/20 0.46
ALOX15 P16050 5/20 0.46
GAA P10253 4/20 0.46
HSD17B10 Q99714 2/20 0.46
CASP1 P29466 1/20 0.46
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 8/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL14745601 1.00 MEN1 (0.46) MEN1KMT2AKDM4EHPGDALOX15
SCHEMBL16440986 0.86 DHFR (0.34) MEN1KMT2AKDM4EHPGDALOX15
SCHEMBL14744680 0.80 MAOB (0.40) KDM4EHPGDHTTLMNAMAPT
SCHEMBL14744681 0.80 MAOB (0.40) KDM4EHPGDHTTLMNAMAPT
SCHEMBL14746108 0.79 MAPT (0.45) MEN1KMT2AKDM4EHPGDALOX15
SCHEMBL14746106 0.79 MAPT (0.45) MEN1KMT2AKDM4EHPGDALOX15
SCHEMBL16440982 0.78 PLG (0.43) KDM4EHPGDHTTLMNAMAPT
SCHEMBL16972702 0.78 KDM2B (0.43) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL16972701 0.78 KDM2B (0.43) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL14744975 0.77

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-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP MEN1 4630/4885KMT2A 4450/4885KDM4E 4305/4885

“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.