SCHEMBL3141802

SCHEMBL3141802

CCc1cc(C)c2cc(Cc3c(Br)cc(NC(=O)CC(=O)O)cc3Br)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
HIF1A Q16665 1/20 0.38
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 3/20 0.35
THRA P10827 2/20 0.35
MCHR1 Q99705 3/20 0.35
LMNA P02545 2/20 0.34

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
SCHEMBL5077547 0.81 KDM4E (0.45) MAPTKDM4ECYP2C19MEN1CYP1A2
SCHEMBL5077546 0.81 KDM4E (0.45) MAPTKDM4ECYP2C19MEN1CYP1A2
SCHEMBL3131792 0.80 THRB (0.53) KDM4ECYP2C19CYP3A4HIF1AALDH1A1
SCHEMBL3140761 0.79 MCHR1 (0.38) MAPTKDM4ECYP2C19MEN1CYP1A2
SCHEMBL3142272 0.76 THRA (0.36) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL3145767 0.74 THRA (0.37) MAPTKDM4ECYP2C19MEN1KMT2A
SCHEMBL3137511 0.73 THRA (0.52) MAPTTHRBTHRAMCHR1
SCHEMBL4356848 0.73 KDM4E (0.43) KDM4ECYP2C19CYP1A2CYP3A4HIF1A
SCHEMBL4356847 0.73 KDM4E (0.43) KDM4ECYP2C19CYP1A2CYP3A4HIF1A
SCHEMBL3133511 0.73 THRB (0.51) KDM4ECYP2C19CYP3A4HIF1AHPGD

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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR MAPT 1760/4885KDM4E 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.