SCHEMBL6047778

SCHEMBL6047778

COc1ccc2nc(C(=O)C(C)(C)C)n(CC(=O)NCc3ccccc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 4/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
GFER P55789 1/20 0.46
NPC1 O15118 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MARK4 Q96L34 1/20 0.46
MAPT P10636 1/20 0.46
SCD O00767 1/20 0.45

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
SCHEMBL4696635 0.84 BRD4 (0.53) HTTTP53MTNR1AMTNR1BMAPT
SCHEMBL4693966 0.83 MTNR1A (0.46) MTNR1AMTNR1B
SCHEMBL4699300 0.82 MTNR1A (0.47) MTNR1AMTNR1BNPC1
SCHEMBL6047802 0.80 TSPO (0.53) TP53RXFP1
SCHEMBL4693967 0.77 POLB (0.52) LMNAHTTMTNR1AMTNR1BMAPT
SCHEMBL4696102 0.76 ALDH1A1 (0.62) HTTTP53MAPT
SCHEMBL4696828 0.76 MTNR1A (0.48) LMNAMTNR1AMTNR1B
SCHEMBL4780614 0.75 TSPO (0.44) MTNR1AMTNR1B
SCHEMBL6047815 0.75 MTNR1A (0.43) LMNAMTNR1AMTNR1B
SCHEMBL4696393 0.74 ALDH1A1 (0.51) HTT

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-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 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-20060148805-A1 Opthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNN1 LMNA 888/4885TSHR 3853/4885HTT 190/4885

“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.