SCHEMBL18545493

SCHEMBL18545493

CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccccc4)C3=O)c2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TCF4 P15884 1/20 0.64
▸ CTNNB1 P35222 1/20 0.64
▸ HDAC6 Q9UBN7 1/20 0.64
▸ ALDH1A1 P00352 10/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ MAPT P10636 9/20 0.54
▸ MEN1 O00255 8/20 0.54
▸ KMT2A Q03164 8/20 0.54
▸ S1PR4 O95977 1/20 0.54
▸ S1PR1 P21453 1/20 0.54
▸ S1PR5 Q9H228 1/20 0.54
▸ NR1H4 Q96RI1 1/20 0.52
▸ IDE P14735 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ NPC1 O15118 8/20 0.52
▸ RAB9A P51151 8/20 0.52
▸ MAPK1 P28482 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ POLB P06746 3/20 0.49

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
SCHEMBL12009081 1.00 TCF4 (0.64) TCF4CTNNB1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL18545649 0.89 TCF4 (0.61) TCF4CTNNB1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL12009067 0.89 TCF4 (0.61) TCF4CTNNB1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL12009032 0.89 TCF4 (0.68) TCF4CTNNB1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL12009114 0.88 TCF4 (0.79) TCF4CTNNB1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL12006922 0.88 TCF4 (0.79) TCF4CTNNB1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL18545525 0.88 TCF4 (0.79) TCF4CTNNB1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL13464589 0.88 TCF4 (0.59) TCF4CTNNB1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL12009075 0.87 TCF4 (0.58) TCF4CTNNB1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL12009042 0.87 TCF4 (0.58) TCF4CTNNB1HDAC6ALDH1A1SMN1; 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-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 TCF4 24/4885CTNNB1 1/4885HDAC6 74/4885

“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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