Sugi Predict

Sugi Predict / Compounds / SCHEMBL962318

SCHEMBL962318

SCHEMBL962318

Cc1c(Cc2cccc([N+](=O)[O-])c2)c(=O)oc2cc(O)c(Cl)cc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 11/20 0.60
▸ RAF1 P04049 9/20 0.49
▸ MAOB P27338 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ GLA P06280 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ HSD17B3 P37058 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ERAP1 Q9NZ08 1/20 0.48
▸ TP53 P04637 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL961140 0.90 MAP2K1 (0.62) MAP2K1RAF1MAOBKDM4EGLA
SCHEMBL959503 0.88 MAP2K1 (0.60) MAP2K1RAF1MAOBKDM4EGLA
SCHEMBL961790 0.88 MAP2K1 (0.60) MAP2K1RAF1MAOBKDM4EGLA
SCHEMBL960967 0.84 KDM4E (0.69) MAP2K1MAOBKDM4EGLAGAA
SCHEMBL972802 0.84 KDM4E (0.67) MAP2K1MAOBKDM4EGLAGAA
SCHEMBL959616 0.83 MAP2K1 (0.68) MAP2K1RAF1KDM4EGLAGAA
SCHEMBL27754418 0.83 MAP2K1 (0.55) MAP2K1RAF1MAOBKDM4EGAA
SCHEMBL961714 0.82 MAP2K1 (0.75) MAP2K1RAF1
SCHEMBL965135 0.82 MAP2K1 (0.56) MAP2K1RAF1MAOBALDH1A1LMNA
SCHEMBL961011 0.82 MAP2K1 (0.52) MAP2K1RAF1MAOBKDM4EGLA

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172198-B1 p27 PROTEIN INDUCER CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-04-16 — — EP disclosed
EP-2172198-B1 p27 PROTEIN INDUCER CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-04-16 — — EP disclosed
US-8569378-B2 p27 protein inducer Sakai, Toshiyuki (JP) 2013-10-29 — — US disclosed
US-8569378-B2 p27 protein inducer Sakai, Toshiyuki (JP) 2013-10-29 — — US disclosed
US-8569378-B2 p27 protein inducer Sakai, Toshiyuki (JP) 2013-10-29 — — US disclosed
US-8278465-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-02 — — US disclosed
US-8278465-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-02 — — US disclosed
US-8278465-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-02 — — US disclosed
EP-1982982-B1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-09-26 — — EP disclosed
EP-1982982-B1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-09-26 — — EP disclosed
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 — — US disclosed
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 — — US disclosed
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 — — US disclosed
CN-101384577-A Novel coumarin derivative having antitumor activity SAKAI TOSHIYUKI (JP) 2009-03-11 — — CN disclosed
EP-1982982-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-10-22 — — EP disclosed
EP-1982982-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-10-22 — — EP disclosed
US-7026491-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-04-11 — — US disclosed
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-01-26 — — US disclosed
US-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-01-20 — — US disclosed
WO-2002008217-A2 COUMARIN DERIVATIVES USEFUL AS TNFα INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-01-31 — — WO 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 (3 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-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors TNF, NFKBIA, TNFRSF1A MAP2K1 3709/4885RAF1 623/4885MAOB 4077/4885
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 MAP2K1 3163/4885RAF1 438/4885MAOB 3526/4885
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors TNF, NFKBIA, TNFRSF1A MAP2K1 3811/4885RAF1 1087/4885MAOB 3977/4885

“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.