SCHEMBL4440697

SCHEMBL4440697

COC(=O)C(N)C(=O)c1cc(Cl)c(Oc2ccc(N)cc2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.41
THRB P10828 3/20 0.41
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 1/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
PARP10 Q53GL7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LIPE Q05469 1/20 0.34
POLB P06746 1/20 0.34
ENPP3 O14638 1/20 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
SCHEMBL3915777 0.76 THRB (0.44) THRATHRBNPBWR1MCHR1
SCHEMBL3741183 0.75 HPGD (0.48) KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3741179 0.74 KMO (0.47) KDM4EMAPTMEN1KMT2A
SCHEMBL4440700 0.73 KDM4E (0.51) THRATHRBTAS1R3TAS1R1TAS1R2
SCHEMBL3923780 0.72 THRA (0.55) THRATHRBALDH1A1GAA
SCHEMBL28497919 0.71 PARP10 (0.53) PARP10ALDH1A1
SCHEMBL5858200 0.70 PTGS1 (0.46) THRATHRBNPBWR1MCHR1PARP10
SCHEMBL3911709 0.70 THRB (0.48) THRATHRBALDH1A1MAPTKMT2A
SCHEMBL19763136 0.70 CA1 (0.53) PARP10ALDH1A1
SCHEMBL5381979 0.69 NPBWR1 (0.40) THRATHRBNPBWR1MCHR1KDM4E

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-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 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-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA THRA 3/4885THRB 5/4885TAS1R3 141/4885

“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.