SCHEMBL2796871

SCHEMBL2796871

CC(C)(C)C1CC(N(CC(=O)Nc2ccccn2)C(=O)O)CCN1CCn1c(=O)cnc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 10/20 0.41
ALDH1A1 P00352 10/20 0.41
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
APOBEC3A P31941 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5040069 0.86 KDM4E (0.43) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL2796862 0.80 ALDH1A1 (0.47) KMT2AKDM4EALDH1A1TDP1HSD17B10
SCHEMBL2797333 0.78 UBE2M (0.38) KMT2AKDM4EALDH1A1HPGDMAPK1
SCHEMBL2798210 0.76 LMNA (0.41) KMT2AALDH1A1HTTMAPTLMNA
SCHEMBL2797796 0.73 LMNA (0.50) KMT2AALDH1A1HSD17B10HTTMAPK1
SCHEMBL2797859 0.72 HTT (0.45) KMT2AKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL2796755 0.72 HTT (0.44) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2796082 0.70 KCNH2 (0.39)
SCHEMBL5046803 0.69 KCNH2 (0.49) KMT2AALDH1A1HPGDHTTMAPT
SCHEMBL2796259 0.69 KCNH2 (0.39) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 KMT2A 1173/4885KDM4E 2360/4885ALDH1A1 2925/4885

“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.