SCHEMBL25787518

SCHEMBL25787518

CC(F)(I)c1ccc(Nc2ccccc2-c2nnn(CC3(O)CCCC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ABCG2 Q9UNQ0 6/20 0.36
▸ USP2 O75604 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL20551944 0.91 ABCG2 (0.42) SMN1; SMN2MAPTLMNAABCG2USP2
SCHEMBL20551705 0.90 ABCG2 (0.42) SMN1; SMN2MAPTLMNAABCG2USP2
SCHEMBL25787531 0.89 SMN1; SMN2 (0.36) SMN1; SMN2MAPTLMNAABCG2USP2
SCHEMBL25787568 0.89 ABCG2 (0.34) SMN1; SMN2MAPTLMNAABCG2USP2
SCHEMBL25787754 0.89 ABCG2 (0.37) SMN1; SMN2MAPTLMNAABCG2USP2
SCHEMBL20552634 0.89 ABCG2 (0.42) SMN1; SMN2MAPTLMNAABCG2USP2
SCHEMBL21749259 0.86 ABCG2 (0.44) SMN1; SMN2MAPTLMNAABCG2USP2
SCHEMBL20552856 0.84 ABCG2 (0.39) SMN1; SMN2MAPTLMNAABCG2USP2
SCHEMBL20551693 0.83 ABCG2 (0.39) SMN1; SMN2MAPTLMNAABCG2USP2
SCHEMBL20552781 0.82 ABCG2 (0.41) MAPTLMNAABCG2L3MBTL1RAB9A

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 3035/4885MAPT 516/4885LMNA 2451/4885

“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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