SCHEMBL18545593

SCHEMBL18545593

CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.56
▸ TCF4 P15884 1/20 0.56
▸ CTNNB1 P35222 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ MEN1 O00255 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ APOBEC3A P31941 1/20 0.50
▸ APOBEC3G Q9HC16 1/20 0.50
▸ MAPT P10636 5/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPK1 P28482 2/20 0.47
▸ MDM2 Q00987 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47

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
SCHEMBL12009022 1.00 NR1H4 (0.56) NR1H4TCF4CTNNB1HDAC6MEN1
SCHEMBL12009024 0.92 NR1H4 (0.64) NR1H4TCF4CTNNB1HDAC6MEN1
SCHEMBL12009716 0.92 TCF4 (0.58) NR1H4TCF4CTNNB1HDAC6MEN1
SCHEMBL12009034 0.91 TCF4 (0.68) NR1H4TCF4CTNNB1HDAC6MEN1
SCHEMBL18545653 0.89 NR1H4 (0.60) NR1H4TCF4CTNNB1HDAC6MEN1
SCHEMBL12009025 0.89 NR1H4 (0.60) NR1H4TCF4CTNNB1HDAC6MEN1
SCHEMBL12009051 0.88 TCF4 (0.70) NR1H4TCF4CTNNB1HDAC6MEN1
SCHEMBL18545491 0.88 TCF4 (0.70) NR1H4TCF4CTNNB1HDAC6MEN1
SCHEMBL12009026 0.87 GLS (0.58) NR1H4TCF4CTNNB1HDAC6MEN1
SCHEMBL12009075 0.85 TCF4 (0.58) NR1H4TCF4CTNNB1HDAC6MEN1

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-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF DASGUPTA RAMANUJ (US) 2017-02-23 — — 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-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 NR1H4 452/4885TCF4 24/4885CTNNB1 1/4885

“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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