SCHEMBL25788798

SCHEMBL25788798

CCn1nnc(-c2ccccc2Nc2cc(C)c(Cl)c(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.47
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 4/20 0.45
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ TRPM8 Q7Z2W7 2/20 0.40
▸ TASP1 Q9H6P5 1/20 0.40
▸ CLCN2 P51788 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 1/20 0.37
▸ USP2 O75604 1/20 0.37

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
SCHEMBL25781520 0.85 TSHR (0.49) TSHRALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL20553127 0.82 TSHR (0.41) TSHRALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL25786372 0.76 TSHR (0.49) TSHRALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL25786481 0.76 TSHR (0.49) TSHRALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL25786389 0.76 TSHR (0.49) TSHRALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL25781521 0.76 ALDH1A1 (0.42) TSHRALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL20552254 0.74 TP53 (0.42) TSHRALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL25786557 0.74 TSHR (0.56) TSHRALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL20551724 0.74 MAOB (0.43) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL25786494 0.71 ALDH1A1 (0.50) TSHRALDH1A1HPGDLMNASMN1; SMN2

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 TSHR 2680/4885ALDH1A1 3323/4885HPGD 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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