SCHEMBL30061311

SCHEMBL30061311

CC(C)NC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2nnn(C)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 10/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ ABCB1 P08183 2/20 0.40
▸ MLYCD O95822 1/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ MCHR1 Q99705 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PTGER4 P35408 1/20 0.38

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
SCHEMBL21090678 1.00 ABCG2 (0.46) ABCG2NPSR1AKR1C3AKR1C2ABCB1
SCHEMBL21090661 0.90 NPSR1 (0.52) ABCG2NPSR1AKR1C3AKR1C2MAPT
SCHEMBL30063461 0.90 NPSR1 (0.52) ABCG2NPSR1AKR1C3AKR1C2MAPT
SCHEMBL25791037 0.89 MAPK14 (0.39) ABCG2NPSR1AKR1C3AKR1C2MLYCD
SCHEMBL21054644 0.89 ABCG2 (0.46) ABCG2AKR1C3AKR1C2ABCB1MAPK14
SCHEMBL30061322 0.87 HPGD (0.41) ABCG2MAPK14MAPTHPGD
SCHEMBL21054146 0.87 HPGD (0.41) ABCG2MAPK14MAPTHPGD
SCHEMBL21055838 0.87 ABCG2 (0.48) ABCG2AKR1C3AKR1C2ABCB1MAPK14
SCHEMBL30062650 0.87 ABCG2 (0.48) ABCG2AKR1C3AKR1C2ABCB1MAPK14
SCHEMBL21054627 0.87 AKR1C3 (0.51) ABCG2AKR1C3AKR1C2ABCB1MAPT

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-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — 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-11524943-B1 Benzocarbonyl compounds YAP1, TEAD2, TEAD3 ABCG2 2776/4885NPSR1 4515/4885AKR1C3 4086/4885

“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.

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