SCHEMBL3140761

SCHEMBL3140761

CCCc1cc(C)c2cc(Cc3c(Br)cc(NCC(=O)O)cc3Br)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.38
KDM4E B2RXH2 3/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 2/20 0.36
ASIC3 Q9UHC3 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 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
SCHEMBL3133511 0.84 THRB (0.51) KDM4ECYP2C19CYP3A4HIF1A
SCHEMBL3145767 0.83 THRA (0.37) MCHR1KDM4ECYP2C19CYP3A4HIF1A
SCHEMBL4356847 0.83 KDM4E (0.43) MCHR1KDM4ECYP2C19CYP3A4HIF1A
SCHEMBL4356848 0.83 KDM4E (0.43) MCHR1KDM4ECYP2C19CYP3A4HIF1A
SCHEMBL3141802 0.79 MAPT (0.38) MCHR1KDM4ECYP2C19CYP3A4HIF1A
SCHEMBL3131792 0.76 THRB (0.53) KDM4ECYP2C19CYP3A4HIF1A
SCHEMBL5077546 0.74 KDM4E (0.45) KDM4ECYP2C19CYP3A4HIF1AMAPT
SCHEMBL5077547 0.74 KDM4E (0.45) KDM4ECYP2C19CYP3A4HIF1AMAPT
SCHEMBL3130687 0.69 HDAC1 (0.37) MEN1KMT2A
SCHEMBL3137511 0.69 THRA (0.52) MCHR1MAPT

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
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 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 MCHR1 268/4885KDM4E 1562/4885CYP2C19 770/4885

“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.