SCHEMBL12417554

SCHEMBL12417554

CNc1cc2c(cc1OC)N(C(C)=O)C(C)(C)C=C2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 11/20 0.45
MAPT P10636 9/20 0.45
KDM4E B2RXH2 9/20 0.45
HTT P42858 6/20 0.45
ALOX12 P18054 5/20 0.45
GAA P10253 5/20 0.45
HPGD P15428 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
THRB P10828 2/20 0.43
TSHR P16473 5/20 0.42
NPSR1 Q6W5P4 4/20 0.42
CASP1 P29466 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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 0.83 LMNA (0.43) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL2195130 0.82 LMNA (0.52) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL3523885 0.81 LMNA (0.42) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL2195821 0.79 RAB9A (0.54) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL25198969 0.76 LMNA (0.62) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL2193659 0.76 LMNA (0.47) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL1323561 0.73 LMNA (0.58) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL3521606 0.72 LMNA (0.50) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL6567228 0.72 ALDH1A1 (0.65) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL1323524 0.71 LMNA (0.56) LMNAALDH1A1MAPTKDM4EHTT

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-9174940-B2 TSH receptor antagonizing tetrahydroquinoline compounds MERCK SHARP & DOHME B.V. (NL) 2015-11-03 US disclosed
US-20110172267-A1 TSH receptor antagonizing tetrahydroquinoline compounds N.V. ORGANON 2011-07-14 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-20110172267-A1 TSH receptor antagonizing tetrahydroquinoline compounds TSHR, MC1R, TRHR LMNA 1653/4885ALDH1A1 3014/4885MAPT 4770/4885

“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.