SCHEMBL21053159

SCHEMBL21053159

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ AKR1C3 P42330 2/20 0.45
▸ AKR1C2 P52895 1/20 0.45
▸ POLB P06746 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MPO P05164 2/20 0.41
▸ EPHB2 P29323 1/20 0.41
▸ DDR1 Q08345 1/20 0.41
▸ DDR2 Q16832 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ HTT P42858 1/20 0.39

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
SCHEMBL25791121 0.94 MAPT (0.39) MAPTAKR1C3AKR1C2POLBALDH1A1
SCHEMBL21054684 0.90 AKR1C3 (0.47) MAPTAKR1C3AKR1C2POLBMPO
SCHEMBL21090761 0.90 ABCG2 (0.44) MAPTAKR1C3AKR1C2
SCHEMBL30061347 0.90 ABCG2 (0.44) MAPTAKR1C3AKR1C2
SCHEMBL30061296 0.88 AKR1C3 (0.53) AKR1C3AKR1C2ALDH1A1MPO
SCHEMBL21054916 0.88 AKR1C3 (0.53) AKR1C3AKR1C2ALDH1A1MPO
SCHEMBL21090661 0.87 NPSR1 (0.52) MAPTAKR1C3AKR1C2POLBMPO
SCHEMBL30063461 0.87 NPSR1 (0.52) MAPTAKR1C3AKR1C2POLBMPO
SCHEMBL21090762 0.87 DDR2 (0.48) MAPTAKR1C3AKR1C2ALDH1A1MPO
SCHEMBL21090797 0.86 AKR1C3 (0.44) MAPTAKR1C3AKR1C2MPOEPHB2

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 6 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
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — US disclosed
EP-3720430-A1 BENZOCARBONYL COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-10-14 — — EP disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — WO 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 MAPT 1776/4885AKR1C3 4086/4885AKR1C2 3536/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 MAPT 516/4885AKR1C3 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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