SCHEMBL25786906

SCHEMBL25786906

CC(F)(P)c1ccc(Nc2ccccc2-c2nnn(CC(=O)O)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ HPGD P15428 4/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ LMNA P02545 6/20 0.45
▸ KMT2A Q03164 8/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HSD17B10 Q99714 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL25787163 0.91 KDM4E (0.52) MAPTSMN1; SMN2HPGDL3MBTL1NPC1
SCHEMBL20552875 0.91 ABCG2 (0.53) MAPTSMN1; SMN2HPGDLMNAKMT2A
SCHEMBL25786917 0.89 SMN1; SMN2 (0.47) MAPTSMN1; SMN2HPGDL3MBTL1NPC1
SCHEMBL25787068 0.85 SMN1; SMN2 (0.40) MAPTSMN1; SMN2HPGDL3MBTL1NPC1
SCHEMBL25787274 0.85 MAPT (0.53) MAPTSMN1; SMN2HPGDLMNAKMT2A
SCHEMBL20552398 0.84 MAPT (0.52) MAPTSMN1; SMN2HPGDL3MBTL1NPC1
SCHEMBL25787051 0.84 SMN1; SMN2 (0.39) MAPTSMN1; SMN2HPGDL3MBTL1NPC1
SCHEMBL25787264 0.83 SMN1; SMN2 (0.45) MAPTSMN1; SMN2HPGDL3MBTL1NPC1
SCHEMBL20552393 0.82 MAPT (0.55) MAPTSMN1; SMN2HPGDLMNAKMT2A
SCHEMBL25787152 0.82 DDX3X (0.43) MAPTSMN1; SMN2HPGDL3MBTL1NPC1

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 MAPT 516/4885SMN1; SMN2 3035/4885HPGD 1998/4885

“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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