SCHEMBL18545654

SCHEMBL18545654

Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TCF4 P15884 1/20 0.58
▸ CTNNB1 P35222 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ MDM2 Q00987 1/20 0.55
▸ BCL2 P10415 1/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ NPC1 O15118 7/20 0.49
▸ RAB9A P51151 6/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ GLS O94925 1/20 0.49
▸ NR1H4 Q96RI1 1/20 0.48
▸ S1PR4 O95977 1/20 0.47
▸ S1PR1 P21453 1/20 0.47
▸ S1PR5 Q9H228 1/20 0.47
▸ ALDH1A1 P00352 8/20 0.46
▸ MAPT P10636 7/20 0.46
▸ POLB P06746 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAPK1 P28482 4/20 0.45

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
SCHEMBL12009042 1.00 TCF4 (0.58) TCF4CTNNB1HDAC6MDM2BCL2
SCHEMBL13464589 0.92 TCF4 (0.59) TCF4CTNNB1HDAC6MDM2NPC1
SCHEMBL18545447 0.91 TCF4 (0.58) TCF4CTNNB1HDAC6MDM2NPC1
SCHEMBL18545515 0.91 TCF4 (0.58) TCF4CTNNB1HDAC6NPC1RAB9A
SCHEMBL12009075 0.91 TCF4 (0.58) TCF4CTNNB1HDAC6MDM2NPC1
SCHEMBL12009046 0.91 TCF4 (0.58) TCF4CTNNB1HDAC6NPC1RAB9A
SCHEMBL12009109 0.90 TCF4 (0.70) TCF4CTNNB1HDAC6MDM2NPC1
SCHEMBL12009081 0.87 TCF4 (0.64) TCF4CTNNB1HDAC6MDM2MCL1
SCHEMBL18545493 0.87 TCF4 (0.64) TCF4CTNNB1HDAC6MDM2MCL1
SCHEMBL12009101 0.85 TCF4 (0.58) TCF4CTNNB1HDAC6MDM2NPC1

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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