SCHEMBL2194592

SCHEMBL2194592

COc1ccccc1CNC(=O)Nc1cc2c(cc1N)N(C(C)=O)CCC2(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 2/20 0.42
FSHR P23945 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RCE1 Q9Y256 1/20 0.40
MAPT P10636 1/20 0.40
GRIN2B Q13224 1/20 0.40
CYP2D6 P10635 1/20 0.39
SOAT1 P35610 3/20 0.39
ADORA3 P0DMS8 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
SCHEMBL2193412 0.89 TSHR (0.42) TSHRLMNATP53FSHRALDH1A1
SCHEMBL2193511 0.87 MAPT (0.46) TSHRLMNATP53FSHRALDH1A1
SCHEMBL3522467 0.69 FSHR (0.44) TSHRFSHRMEN1KMT2AMAPT
SCHEMBL2193480 0.68 TSHR (0.65) TSHRFSHRMAPT
SCHEMBL3655121 0.67 FSHR (0.62) TSHRTP53FSHRMAPT
SCHEMBL3524943 0.66 MEN1 (0.58) TSHRLMNATP53FSHRMEN1
SCHEMBL5595072 0.65 CFD (0.62) ALDH1A1HPGDGAAMEN1ALOX15
SCHEMBL20540167 0.65 KMT2A (0.61) ALDH1A1HPGDGAAMEN1ALOX15
SCHEMBL2194582 0.65 FSHR (0.61) TSHRFSHRMAPK1MAPT
SCHEMBL2192026 0.65 TSHR (0.68) TSHRFSHR

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
EP-2197445-B1 TSH RECEPTOR ANTAGONIZING TETRAHYDROQUINOLINE COMPOUNDS MERCK SHARP & DOHME (NL) 2017-04-19 EP disclosed
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 TSHR 1/4885LMNA 1653/4885TP53 711/4885

“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.