SCHEMBL21090661

SCHEMBL21090661

CC(C)NC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)c(-c2nnn(C)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.52
▸ AKR1C3 P42330 3/20 0.45
▸ AKR1C2 P52895 2/20 0.45
▸ PTGER4 P35408 2/20 0.42
▸ MAPT P10636 4/20 0.42
▸ MPO P05164 2/20 0.41
▸ EPHB2 P29323 1/20 0.41
▸ DDR1 Q08345 1/20 0.41
▸ DDR2 Q16832 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TSHR P16473 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
SCHEMBL30063461 1.00 NPSR1 (0.52) NPSR1AKR1C3AKR1C2PTGER4MAPT
SCHEMBL25791116 0.94 NPSR1 (0.43) NPSR1AKR1C3AKR1C2PTGER4MAPT
SCHEMBL21090678 0.90 ABCG2 (0.46) NPSR1AKR1C3AKR1C2PTGER4MAPT
SCHEMBL21054684 0.90 AKR1C3 (0.47) AKR1C3AKR1C2MAPTMPOEPHB2
SCHEMBL30061311 0.90 ABCG2 (0.46) NPSR1AKR1C3AKR1C2PTGER4MAPT
SCHEMBL21054301 0.88 AKR1C3 (0.47) AKR1C3AKR1C2MAPTMPORXFP1
SCHEMBL29438861 0.88 AKR1C3 (0.47) AKR1C3AKR1C2MAPTMPORXFP1
SCHEMBL30061296 0.88 AKR1C3 (0.53) AKR1C3AKR1C2PTGER4MPO
SCHEMBL21054916 0.88 AKR1C3 (0.53) AKR1C3AKR1C2PTGER4MPO
SCHEMBL21053159 0.87 MAPT (0.46) AKR1C3AKR1C2MAPTMPOEPHB2

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 NPSR1 4515/4885AKR1C3 4086/4885AKR1C2 3536/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 NPSR1 4607/4885AKR1C3 2063/4885AKR1C2 1874/4885

“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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