SCHEMBL25791053

SCHEMBL25791053

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ BTK Q06187 5/20 0.43
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42
▸ EPHX2 P34913 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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 0.91 AKR1C3 (0.43) TP53NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL21090776 0.91 AKR1C3 (0.43) TP53NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL25791092 0.89 RAB9A (0.44) TP53NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL21054615 0.84 GAA (0.39) MAPK14MAPK1L3MBTL1MAPK9MAPK10
SCHEMBL30063191 0.84 GAA (0.39) MAPK14MAPK1L3MBTL1MAPK9MAPK10
SCHEMBL29438919 0.82 AKR1C3 (0.46) TP53RAB9ASMN1; SMN2AKR1C3AKR1C2
SCHEMBL21090794 0.82 AKR1C3 (0.46) TP53RAB9ASMN1; SMN2AKR1C3AKR1C2
SCHEMBL21090803 0.80 AKR1C3 (0.41) TP53RAB9AAKR1C3AKR1C2ALDH1A1
SCHEMBL30061302 0.80 AKR1C3 (0.41) TP53RAB9AAKR1C3AKR1C2ALDH1A1
SCHEMBL21054627 0.79 AKR1C3 (0.51) NPC1SMN1; SMN2AKR1C3AKR1C2EPHX2

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-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 — — 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-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 TP53 145/4885NPC1 2127/4885RAB9A 1922/4885

“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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