SCHEMBL25786687

SCHEMBL25786687

CC(F)(F)c1ccc(Nc2ccccc2-c2nnn(Cc3ccccn3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ HDAC6 Q9UBN7 5/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NR3C1 P04150 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL21749304 0.92 NPC1 (0.46) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL20552654 0.85 SMN1; SMN2 (0.43) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL25786698 0.83 SMN1; SMN2 (0.42) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL25786689 0.81 SMN1; SMN2 (0.41) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL25786607 0.79 HDAC6 (0.41) SMN1; SMN2LMNANPC1RAB9ACYP3A4
SCHEMBL25787329 0.77 LMNA (0.40) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL25786630 0.77 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL21749297 0.77 HDAC6 (0.47) SMN1; SMN2RAB9ATP53HDAC6L3MBTL1
SCHEMBL25787764 0.77 LMNA (0.42) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL25786784 0.77 ABL1 (0.43) LMNARAB9ACYP3A4CYP2C19MAPT

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 SMN1; SMN2 3035/4885LMNA 2451/4885NPC1 2127/4885

“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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