SCHEMBL18545565

SCHEMBL18545565

Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.56
▸ MAPT P10636 7/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ NPSR1 Q6W5P4 3/20 0.56
▸ HTT P42858 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ GPR55 Q9Y2T6 1/20 0.56
▸ TCF4 P15884 1/20 0.55
▸ CTNNB1 P35222 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ KMT2A Q03164 7/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ MDM2 Q00987 1/20 0.45
▸ NR1H4 Q96RI1 3/20 0.45
▸ NR2F2 P24468 1/20 0.45
▸ S1PR4 O95977 1/20 0.45
▸ S1PR1 P21453 1/20 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
SCHEMBL12009091 1.00 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2NPSR1HTT
SCHEMBL12009101 0.92 TCF4 (0.58) ALDH1A1MAPTSMN1; SMN2NPSR1HTT
SCHEMBL12009717 0.92 TCF4 (0.54) ALDH1A1MAPTSMN1; SMN2NPSR1HTT
SCHEMBL12009075 0.90 TCF4 (0.58) ALDH1A1MAPTSMN1; SMN2NPSR1HTT
SCHEMBL18545447 0.90 TCF4 (0.58) ALDH1A1MAPTSMN1; SMN2NPSR1HTT
SCHEMBL18545575 0.85 TCF4 (0.58) ALDH1A1MAPTSMN1; SMN2NPSR1HTT
SCHEMBL12009076 0.85 TCF4 (0.58) ALDH1A1MAPTSMN1; SMN2NPSR1HTT
SCHEMBL12009051 0.85 TCF4 (0.70) ALDH1A1MAPTSMN1; SMN2NPSR1HPGD
SCHEMBL18545491 0.85 TCF4 (0.70) ALDH1A1MAPTSMN1; SMN2NPSR1HPGD
SCHEMBL12009081 0.84 TCF4 (0.64) ALDH1A1MAPTSMN1; SMN2NPSR1KDM4E

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 ALDH1A1 413/4885MAPT 1929/4885SMN1; SMN2 3198/4885

“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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