Sugi Predict

Sugi Predict / Compounds / SCHEMBL960967

SCHEMBL960967

SCHEMBL960967

Cc1c(Cc2cccc([N+](=O)[O-])c2)c(=O)oc2cc(O)ccc12

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.69
▸ HSD17B3 P37058 4/20 0.69
▸ GAA P10253 4/20 0.69
▸ GLA P06280 3/20 0.69
▸ NPSR1 Q6W5P4 1/20 0.69
▸ ERAP1 Q9NZ08 1/20 0.69
▸ MAP2K1 Q02750 2/20 0.68
▸ MAOB P27338 3/20 0.60
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ CASP1 P29466 2/20 0.51
▸ CASP7 P55210 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ ESR1 P03372 1/20 0.48
▸ AR P10275 1/20 0.48
▸ NQO1 P15559 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL960520 0.89 NQO1 (0.62) KDM4EHSD17B3GAAGLANPSR1
SCHEMBL960393 0.88 HSD17B3 (0.70) KDM4EHSD17B3GAAGLANPSR1
SCHEMBL962919 0.87 MAP2K1 (0.66) KDM4EHSD17B3GAAGLANPSR1
SCHEMBL959672 0.87 MAP2K1 (0.66) KDM4EHSD17B3GAAGLANPSR1
SCHEMBL961140 0.86 MAP2K1 (0.62) KDM4EHSD17B3GAAGLANPSR1
SCHEMBL13391484 0.85 MAP2K1 (0.64) KDM4EHSD17B3GAAGLANPSR1
SCHEMBL961790 0.84 MAP2K1 (0.60) KDM4EHSD17B3GAAGLANPSR1
SCHEMBL959503 0.84 MAP2K1 (0.60) KDM4EHSD17B3GAAGLANPSR1
SCHEMBL962318 0.84 MAP2K1 (0.60) KDM4EHSD17B3GAAGLANPSR1
SCHEMBL15931623 0.84 HSD17B3 (0.79) KDM4EHSD17B3GAAGLANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611258-B2 Dual MEK/PI3K inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-04-04 — — US disclosed
US-9611258-B2 Dual MEK/PI3K inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-04-04 — — US disclosed
US-20160002212-A1 DUAL MEK/PI3K INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-01-07 — — US disclosed
US-20160002212-A1 DUAL MEK/PI3K INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-01-07 — — US disclosed
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
EP-2172198-A1 p27 PROTEIN INDUCER Chugai Seiyaku Kabushiki Kaisha (JP) 2010-04-07 — — EP disclosed
EP-2172198-A1 p27 PROTEIN INDUCER Chugai Seiyaku Kabushiki Kaisha (JP) 2010-04-07 — — 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
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 (4 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-20160002212-A1 DUAL MEK/PI3K INHIBITORS AND THERAPEUTIC METHODS USING THE SAME MAP2K2, MAP2K1, MAP2K7 KDM4E 1330/4885HSD17B3 2523/4885GAA 1410/4885
US-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors TNF, NFKBIA, TNFRSF1A KDM4E 4511/4885HSD17B3 1415/4885GAA 659/4885
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 KDM4E 2810/4885HSD17B3 704/4885GAA 2381/4885
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors TNF, NFKBIA, TNFRSF1A KDM4E 4567/4885HSD17B3 1596/4885GAA 603/4885

“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.