SCHEMBL25791128

SCHEMBL25791128

COC(=O)c1ccc(Nc2ccc(C(C)(C)F)cc2)c(-c2nnn(Cc3ccccc3F)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ RECQL P46063 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ METAP2 P50579 1/20 0.38

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
SCHEMBL21053119 0.94 ATM (0.47) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL25791152 0.89 ATM (0.45) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21053116 0.88 MAPT (0.47) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21053210 0.84 ATM (0.57) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30061300 0.84 ATM (0.57) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21091053 0.78 RAB9A (0.44) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29074802 0.78 NPC1 (0.54) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30061310 0.78 ATM (0.55) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21054113 0.78 ATM (0.55) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29074757 0.78 ATM (0.43) ATMMAPTSMN1; SMN2NPC1RAB9A

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 ATM 3841/4885MAPT 516/4885SMN1; SMN2 3035/4885

“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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