SCHEMBL20532002

SCHEMBL20532002

O=c1ccc(-c2cc[nH]c(=O)c2)c[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.59
MAP4K4 O95819 3/20 0.43
ALDH1A1 P00352 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
ALDH2 P05091 4/20 0.38
CHEK1 O14757 1/20 0.38
FKBP5 Q13451 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL6042142 0.84 NOTUM (0.77) NOTUMMAP4K4HDAC6ALDH2FKBP5
SCHEMBL4231200 0.75 NOTUM (0.64) NOTUMMAP4K4HDAC6ALDH2MAPK13
SCHEMBL3476831 0.75 NOTUM (0.64) NOTUMMAP4K4ALDH1A1ALDH2KCNH2
SCHEMBL94548 0.75 NOTUM (0.64) NOTUMMAP4K4HDAC6ALDH2MEN1
SCHEMBL3901501 0.75 NOTUM (0.64) NOTUMMAP4K4ALDH1A1HDAC6ALDH2
SCHEMBL30557237 0.75 NOTUM (0.53) NOTUMMAP4K4HDAC6CHEK1
SCHEMBL1136802 0.74 NOTUM (1.00) NOTUMMAP4K4HDAC6ALDH2FKBP5
SCHEMBL15889945 0.73 MEN1 (0.50) NOTUMMAP4K4ALDH1A1PDGFRBPDGFRA
SCHEMBL8172378 0.73 APP (0.56)
SCHEMBL10891251 0.73 KMT2A (0.56) MAP4K4ALDH1A1PDGFRBPDGFRACHEK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180296543-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. 2018-10-18 US claimed
US-20180296543-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. 2018-10-18 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-20180296543-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 NOTUM 3783/4885MAP4K4 1086/4885ALDH1A1 3907/4885

“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.