SCHEMBL5860138

SCHEMBL5860138

COC1=C(OC)C(=O)C(Cc2ccc(-c3cccnc3)c(C(=O)Nc3ccc(OC)cc3)c2)=C(C)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.49
ATR Q13535 1/20 0.47
BRAF P15056 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
LRRK2 Q5S007 1/20 0.44
MEN1 O00255 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ABL1 P00519 1/20 0.43

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
SCHEMBL5859125 0.93 PSMD14 (0.49) PSMD14ATRBRAFIRAK4KMT2A
SCHEMBL5859279 0.91 CYP3A4 (0.48) KMT2APOLBLMNAMAPTSMN1; SMN2
SCHEMBL5859153 0.90 GAA (0.56) KMT2APOLBLMNAMAPTGAA
SCHEMBL5862041 0.90 POLB (0.50) KMT2APOLBLMNAMAPTGAA
SCHEMBL5859917 0.90 MAPT (0.48) KMT2ALMNAMAPTSMN1; SMN2LRRK2
SCHEMBL5859065 0.88 GAA (0.47) KMT2APOLBLMNAMAPTSMN1; SMN2
SCHEMBL6093674 0.85 LRRK2 (0.58) LRRK2
SCHEMBL5859335 0.84 TBXAS1 (0.45) LMNACYP11B1CYP11B2KDM4E
SCHEMBL5859178 0.83 MAPT (0.48) KMT2ALMNAMAPTSMN1; SMN2LRRK2
SCHEMBL5859074 0.83 MEN1 (0.47) KMT2APOLBLMNAMAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122543-B2 Substituted benzoic acid derivatives having NF-κB inhibiting action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-10-17 US disclosed
EP-1437339-A1 SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING NF-KAPPA B INHIBITING ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-07-14 EP disclosed
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-02-26 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-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity NFKBIA, NFKB2, IKBKB PSMD14 1414/4885ATR 1524/4885BRAF 1320/4885

“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.