SCHEMBL25786607

SCHEMBL25786607

CC(C)(F)c1ccc(Nc2ccccc2-c2nnn(Cc3ccncc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ FLT1 P17948 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ABCG2 Q9UNQ0 3/20 0.37
▸ HPGD P15428 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 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
SCHEMBL21749297 0.93 HDAC6 (0.47) HDAC6L3MBTL1RAB9AFLT1KDR
SCHEMBL25786602 0.89 CYP3A4 (0.40) HDAC6CYP3A4CYP2C19L3MBTL1RAB9A
SCHEMBL21749272 0.85 FLT1 (0.47) L3MBTL1RAB9AFLT1KDRSMN1; SMN2
SCHEMBL25786690 0.83 FLT1 (0.40) L3MBTL1RAB9AFLT1KDRSMN1; SMN2
SCHEMBL21749247 0.83 HIF1A (0.45) HDAC6CYP3A4CYP2C19L3MBTL1RAB9A
SCHEMBL25787692 0.82 CYP3A4 (0.39) HDAC6CYP3A4CYP2C19L3MBTL1RAB9A
SCHEMBL25787689 0.79 HIF1A (0.38) HDAC6CYP3A4CYP2C19L3MBTL1RAB9A
SCHEMBL25786687 0.79 SMN1; SMN2 (0.47) HDAC6CYP3A4CYP2C19L3MBTL1RAB9A
SCHEMBL20552643 0.78 ABCG2 (0.47) HDAC6SMN1; SMN2MAPTABCG2ALDH1A1
SCHEMBL21749304 0.78 NPC1 (0.46) HDAC6RAB9ASMN1; SMN2ABCG2NPC1

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 HDAC6 921/4885CYP3A4 1995/4885CYP2C19 4704/4885

“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.

Send feedback