SCHEMBL21090776

SCHEMBL21090776

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ ABCG2 Q9UNQ0 10/20 0.43
▸ MAPK14 Q16539 1/20 0.40
▸ TEAD1 P28347 1/20 0.39
▸ YAP1 P46937 1/20 0.39
▸ ABCB1 P08183 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ TACR2 P21452 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36

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
SCHEMBL30063574 1.00 AKR1C3 (0.43) AKR1C3AKR1C2ABCG2MAPK14TEAD1
SCHEMBL25791053 0.91 TP53 (0.46) AKR1C3AKR1C2ABCG2MAPK14NPC1
SCHEMBL21090803 0.89 AKR1C3 (0.41) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL30061302 0.89 AKR1C3 (0.41) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL21090794 0.89 AKR1C3 (0.46) AKR1C3AKR1C2RAB9ATP53SMN1; SMN2
SCHEMBL29438919 0.89 AKR1C3 (0.46) AKR1C3AKR1C2RAB9ATP53SMN1; SMN2
SCHEMBL21054627 0.89 AKR1C3 (0.51) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL30062663 0.89 AKR1C3 (0.51) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL30062661 0.88 AKR1C3 (0.45) AKR1C3AKR1C2ABCG2TEAD1YAP1
SCHEMBL21054808 0.88 AKR1C3 (0.45) AKR1C3AKR1C2ABCG2TEAD1YAP1

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
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 — — US disclosed
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — US disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — WO 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 (2 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 AKR1C3 4086/4885AKR1C2 3536/4885ABCG2 2776/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 AKR1C3 2063/4885AKR1C2 1874/4885ABCG2 2217/4885

“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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