SCHEMBL25791082

SCHEMBL25791082

Cn1nnc(-c2cc(C(=O)NS(C)(=O)=O)ccc2Nc2ccc(C(C)(P)P)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 11/20 0.39
▸ TP53 P04637 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SCN5A Q14524 3/20 0.38
▸ PTPN1 P18031 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ PHGDH O43175 1/20 0.33
▸ AXL P30530 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ BRD2 P25440 1/20 0.32

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
SCHEMBL21090804 0.90 SCN9A (0.50) SCN9ATP53SMN1; SMN2SCN5APTPN1
SCHEMBL25791011 0.88 TP53 (0.41) TP53RAB9ASMN1; SMN2NPC1RECQL
SCHEMBL25791037 0.86 MAPK14 (0.39) TP53RAB9ASMN1; SMN2NPC1RECQL
SCHEMBL30063196 0.85 MAPK14 (0.38) SCN9ATP53RAB9ASMN1; SMN2NPC1
SCHEMBL21053213 0.85 MAPK14 (0.38) SCN9ATP53RAB9ASMN1; SMN2NPC1
SCHEMBL25790954 0.84 GAA (0.39) TP53RAB9ASMN1; SMN2NPC1RECQL
SCHEMBL21090671 0.81 SCN9A (0.49) SCN9ATP53SMN1; SMN2SCN5AAKR1C3
SCHEMBL25790329 0.79 TEAD1 (0.41) RAB9ASMN1; SMN2NPC1BRD4BRD2
SCHEMBL21054644 0.77 ABCG2 (0.46) SCN9ATP53RAB9ASMN1; SMN2NPC1
SCHEMBL25791053 0.75 TP53 (0.46) TP53RAB9ASMN1; SMN2NPC1RECQL

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 SCN9A 1817/4885TP53 145/4885RAB9A 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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