SCHEMBL2192397

SCHEMBL2192397

COc1cc2c(cc1NC(=O)c1ccc(-c3ccccc3)cc1)C(C)=CC(C)(C)N2C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
FSHR P23945 5/20 0.51
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
AHR P35869 1/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL3524671 0.85 LMNA (0.43) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL3523885 0.83 LMNA (0.42) HDAC1HDAC8HDAC6KMT2AMEN1
SCHEMBL3528406 0.83 LMNA (0.42) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL2195821 0.80 RAB9A (0.54) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL2190246 0.77 FSHR (0.78) FSHRKMT2AMEN1NPSR1
SCHEMBL1323561 0.70 LMNA (0.58) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL16231124 0.67 MEN1 (0.73) HDAC1HDAC8HDAC6KMT2AMEN1
SCHEMBL29522421 0.67 LMNA (1.00) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL825844 0.66 MEN1 (0.76) HDAC1HDAC8HDAC6KMT2AMEN1
SCHEMBL13788777 0.64 MEN1 (0.78) HDAC1HDAC8HDAC6KMT2AMEN1

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-20110172267-A1 TSH receptor antagonizing tetrahydroquinoline compounds N.V. ORGANON 2011-07-14 US disclosed
EP-2197445-A2 TSH RECEPTOR ANTAGONIZING TETRAHYDROQUINOLINE COMPOUNDS N.V. Organon (NL) 2010-06-23 EP disclosed
WO-2009027482-A2 TSH RECEPTOR ANTAGONIZING TETRAHYDROQUINOLINE COMPOUNDS N.V. ORGANON (NL) 2009-03-05 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-20110172267-A1 TSH receptor antagonizing tetrahydroquinoline compounds TSHR, MC1R, TRHR HDAC1 542/4885HDAC8 1650/4885HDAC6 1559/4885

“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.