SCHEMBL18545661

SCHEMBL18545661

COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TCF4 P15884 1/20 0.55
▸ CTNNB1 P35222 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ KMT2A Q03164 8/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ NPC1 O15118 5/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 6/20 0.53
▸ MAPT P10636 4/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ MYC P01106 1/20 0.45
▸ POLB P06746 5/20 0.44
▸ DUSP3 P51452 2/20 0.44
▸ APAF1 O14727 1/20 0.44

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
SCHEMBL12009117 1.00 TCF4 (0.55) TCF4CTNNB1HDAC6KMT2AALDH1A1
SCHEMBL18545452 0.93 TCF4 (0.55) TCF4CTNNB1HDAC6KMT2AALDH1A1
SCHEMBL12009112 0.93 TCF4 (0.55) TCF4CTNNB1HDAC6KMT2AALDH1A1
SCHEMBL13446978 0.90 TCF4 (0.60) TCF4CTNNB1HDAC6KMT2AALDH1A1
SCHEMBL12009083 0.87 TCF4 (0.59) TCF4CTNNB1HDAC6KMT2AALDH1A1
SCHEMBL18545569 0.87 TCF4 (0.59) TCF4CTNNB1HDAC6KMT2AALDH1A1
SCHEMBL12009727 0.87 TCF4 (0.61) TCF4CTNNB1HDAC6KMT2AALDH1A1
SCHEMBL12009047 0.85 TCF4 (0.59) TCF4CTNNB1HDAC6KMT2AALDH1A1
SCHEMBL12009049 0.85 TCF4 (0.68) TCF4CTNNB1HDAC6KMT2AALDH1A1
SCHEMBL18545439 0.85 TCF4 (0.68) TCF4CTNNB1HDAC6KMT2AALDH1A1

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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