SCHEMBL3141333

SCHEMBL3141333

CCC(Oc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 1/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
SRD5A2 P31213 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MYOC Q99972 1/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
CRHBP P24387 1/20 0.37

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
SCHEMBL3629791 0.84 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ABCL9CTNNB1
SCHEMBL3140495 0.83 SMN1; SMN2 (0.51) SMN1; SMN2
Hydrochloric Acid SCHEMBL10569382 0.82 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2ABCL9CTNNB1
SCHEMBL3140991 0.77 PTGS1 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL3911244 0.77 MEN1 (0.48) SMN1; SMN2MEN1KMT2AKDM4ESRD5A2
SCHEMBL4451964 0.76 MEN1 (0.45) SMN1; SMN2MEN1KMT2AKDM4ESRD5A2
SCHEMBL3133551 0.76 MEN1 (0.68) MEN1KMT2AKDM4ESRD5A2MAPT
SCHEMBL8472108 0.75 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1
SCHEMBL5382529 0.74 PTGS2 (0.49) SMN1; SMN2MEN1KMT2AKDM4EBCL9
SCHEMBL3137474 0.74 MEN1 (0.49) MEN1KMT2AKDM4ESRD5A2ALDH1A1

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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 US disclosed
US-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands KARO BIO AB (SE) 2009-09-17 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 (2 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-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands TSHR, TRHR, THRA SMN1; SMN2 4863/4885MEN1 855/4885KMT2A 1408/4885
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR SMN1; SMN2 4757/4885MEN1 496/4885KMT2A 1184/4885

“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.