SCHEMBL3140994

SCHEMBL3140994

O=C(O)/C=C/c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KRAS P01116 2/20 0.44
MAOB P27338 3/20 0.44
MAOA P21397 1/20 0.44
KDM4E B2RXH2 2/20 0.44
SRD5A2 P31213 1/20 0.44
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
BCHE P06276 1/20 0.43
CYP1B1 Q16678 1/20 0.43
ESR1 P03372 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL3141009 1.00 MEN1 (0.47) MEN1KMT2AKRASMAOBMAOA
SCHEMBL3130655 0.81 KDM4E (0.46) KRASKDM4ESRD5A2PTGS1PTGS2
SCHEMBL3130645 0.81 KDM4E (0.46) KRASKDM4ESRD5A2PTGS1PTGS2
SCHEMBL3133551 0.80 MEN1 (0.68) MEN1KMT2AKDM4ESRD5A2GAA
SCHEMBL4295197 0.79 KDM4E (0.44) MEN1KMT2AKDM4ESRD5A2PTGS1
SCHEMBL4295204 0.79 KDM4E (0.44) MEN1KMT2AKDM4ESRD5A2PTGS1
SCHEMBL3137474 0.78 MEN1 (0.49) MEN1KMT2AKDM4ESRD5A2PTGS1
SCHEMBL5381954 0.77 HSPB1 (0.51) MEN1KMT2AKDM4ESRD5A2GAA
SCHEMBL3910543 0.76 ALDH1A1 (0.58) MEN1KMT2AKDM4ESRD5A2NPC1
SCHEMBL42325 0.75 MEN1 (0.71) MEN1KMT2AMAOBMAOAPTGS1

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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 US disclosed
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR MEN1 496/4885KMT2A 1184/4885KRAS 1289/4885

“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.