SCHEMBL13757706

SCHEMBL13757706

CC(C)c1ccc2c(c1)n(C)c(=O)c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
BRPF1 P55201 2/20 0.47
TRIM24 O15164 1/20 0.47
BRD1 O95696 1/20 0.47
TP53 P04637 1/20 0.45
BRD4 O60885 1/20 0.43
RORA P35398 1/20 0.43
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 4/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RNASEH1 O60930 1/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
NR1H3 Q13133 1/20 0.40

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
SCHEMBL13340940 0.88 BRPF1 (0.57) POLBBRPF1TRIM24BRD1TP53
SCHEMBL26225680 0.80 LMNA (0.41) POLBBRPF1TRIM24BRD1TP53
SCHEMBL25446875 0.79 MAPK14 (0.47) BRPF1TRIM24BRD1TP53BRD4
SCHEMBL27300521 0.79 HPD (0.50) POLBBRPF1TRIM24BRD1BRD4
SCHEMBL22822495 0.75 ALDH1A1 (0.45) POLBBRPF1TRIM24BRD1BRD4
SCHEMBL15341928 0.73 RORA (0.48) POLBBRPF1TRIM24BRD1TP53
SCHEMBL31737555 0.73 BRPF1 (0.53) BRPF1TRIM24BRD1TP53BRD4
SCHEMBL31737100 0.73 BRPF1 (0.53) BRPF1TRIM24BRD1TP53BRD4
SCHEMBL12546249 0.73 BRPF1 (0.53) BRPF1TRIM24BRD1TP53BRD4
SCHEMBL18509339 0.73 BRPF1 (0.53) BRPF1TRIM24BRD1TP53BRD4

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-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 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-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 POLB 3424/4885BRPF1 2224/4885TRIM24 3874/4885

“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.