SCHEMBL3611147

SCHEMBL3611147

CC(C)(C)N(C(=O)O)c1ccc(Oc2ccncc2C=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
TSPO P30536 4/20 0.34
OPRK1 P41145 2/20 0.34
BTK Q06187 1/20 0.34
ALB P02768 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM4C Q9H3R0 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL29873867 0.75 CYP17A1 (0.51) GAAKMT2A
SCHEMBL13548240 0.75 CYP17A1 (0.51) GAAKMT2A
SCHEMBL4065895 0.75 KDM4C (0.34) GAAKMT2AALDH1A1KDM4CKDM4E
SCHEMBL2511336 0.74 LMNA (0.62) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL4072497 0.72 KDM4C (0.34) LMNAGAAKMT2AALDH1A1KDM4C
SCHEMBL15787106 0.72 CA12 (0.56) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL3831425 0.71 CHRM5 (0.41) LMNAGAAKMT2AKDM4E
Acetic Acid SCHEMBL16021009 0.69 KDM4C (0.32) KMT2AALDH1A1KDM4CKDM4ECCNC
SCHEMBL3503371 0.68 CYP2A6 (0.48) LMNAGAAKMT2AALDH1A1HSD17B10
SCHEMBL2117365 0.68 SMN1; SMN2 (0.47) GAAKMT2AALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016307-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-21 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-20100016307-A1 NOVEL COMPOUNDS MET, HGF, HGFAC LMNA 2906/4885GAA 1163/4885KMT2A 3746/4885

“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.