SCHEMBL25786417

SCHEMBL25786417

CC(F)(F)c1cccc(Nc2ccccc2-c2nnn(CCN)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNK18 Q7Z418 1/20 0.47
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TAS2R14 Q9NYV8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ATM Q13315 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ BCDIN3D Q7Z5W3 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ YAP1 P46937 1/20 0.36
▸ TEAD4 Q15561 1/20 0.36
▸ TEAD2 Q15562 1/20 0.36

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
SCHEMBL21749307 0.94 MAPT (0.49) KCNK18MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL25786524 0.90 KCNK18 (0.45) KCNK18MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL20552265 0.84 ABCG2 (0.45) MAPTSMN1; SMN2ALDH1A1TAS2R14ATM
SCHEMBL21764708 0.83 ALDH1A1 (0.44) KCNK18MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL20552652 0.83 ALDH1A1 (0.46) KCNK18MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL21749242 0.82 TP53 (0.44) KCNK18MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL20552892 0.81 ALDH1A1 (0.44) KCNK18MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL20552262 0.80 KDM4E (0.52) MAPTSMN1; SMN2ALDH1A1GAARAB9A
SCHEMBL20553068 0.79 CYP11B1 (0.44) KCNK18MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL20552415 0.79 YAP1 (0.47) LTA4HYAP1TEAD4TEAD2

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 KCNK18 3394/4885MAPT 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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