SCHEMBL6097332

SCHEMBL6097332

COC1=C(OC)C(=O)C(Cc2ccc(O)c(C(=O)Nc3ccc(-n4ccnc4)cc3)c2)=C(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.39
ROCK1 Q13464 1/20 0.39
ABL1 P00519 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39
KMT2A Q03164 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
POLB P06746 2/20 0.38
TYK2 P29597 1/20 0.38
F10 P00742 1/20 0.38
PORCN Q9H237 2/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL6098847 0.88 HTT (0.42) HTTROCK1MAPTALDH1A1SMN1; SMN2
SCHEMBL6095585 0.86 KCNMA1 (0.47) HTTMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6094593 0.84 KCNMA1 (0.52) MAPTALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL6093802 0.83 NPC1 (0.52) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6097223 0.82 P2RX1 (0.47) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6097073 0.82 KLKB1 (0.43) MAPTMEN1KMT2ANPSR1F10
SCHEMBL6097408 0.82 P2RX1 (0.51) MAPTKDM4EMEN1KMT2A
SCHEMBL6098067 0.82 MEN1 (0.51) HTTMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6096291 0.82 F2 (0.43) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL6096550 0.82 PLAU (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US claimed
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US disclosed
US-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-06-24 US disclosed
EP-1314712-A1 NF-KAPPA-B INHIBITOR CONTAINING SUBSTITUTED BENZOIC ACID DERIVATIVE AS ACTIVE INGREDIENT Daiichi Suntory Pharma Co., Ltd. (JP) 2003-05-28 EP 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-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient NFKBIA, NFKB1, IKBKB HTT 3970/4885ROCK1 4387/4885ABL1 3144/4885

“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.