Sugi Predict

Sugi Predict / Compounds / SCHEMBL962407

SCHEMBL962407

SCHEMBL962407

Cc1c(Cc2cccc([N+](=O)[O-])c2)c(=O)oc2cc(-c3cccnc3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 3/20 0.58
▸ MAOB P27338 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HSD17B3 P37058 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ERAP1 Q9NZ08 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA5 P30532 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ ALDH1A2 O94788 1/20 0.41
▸ ALDH1B1 P30837 1/20 0.41
▸ ALDH1A3 P47895 1/20 0.41
▸ TNIK Q9UKE5 1/20 0.41
▸ STS P08842 1/20 0.40

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
SCHEMBL959717 0.90 MAP2K1 (0.61) MAP2K1MAOBKDM4EGLAGAA
SCHEMBL13391484 0.88 MAP2K1 (0.64) MAP2K1MAOBKDM4EGLAGAA
Dimethylamine SCHEMBL960928 0.87 MAP2K1 (0.61) MAP2K1MAOBKDM4EGLAGAA
SCHEMBL960747 0.85 MAP2K1 (0.55) MAP2K1KDM4EGLAGAAHSD17B3
SCHEMBL959479 0.84 MAP2K1 (0.57) MAP2K1MAOBKDM4EGLAGAA
SCHEMBL14048780 0.84 MAP2K1 (0.61) MAP2K1MAOBKDM4EGLAGAA
SCHEMBL961057 0.84 MAP2K1 (0.56) MAP2K1MAOBKDM4EGLAGAA
SCHEMBL962155 0.83 MAP2K1 (0.63) MAP2K1MAOBKDM4EGLAGAA
SCHEMBL960927 0.83 MAP2K1 (0.65) MAP2K1MAOBKDM4EGLAGAA
SCHEMBL960467 0.82 MAP2K1 (0.64) MAP2K1MAOBKDM4EGLAGAA

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 23 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
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
CN-101384577-B Novel coumarin derivative having antitumor activity CHUGAI PHARMACEUTICAL CO LTD 2011-10-19 — — CN disclosed
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity IIKURA HITOSHI 2011-04-21 — — US disclosed
US-7897792-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 — — US disclosed
US-7897792-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 — — US disclosed
US-20110009398-A1 p27 Protein Inducer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-13 — — US disclosed
US-20110009398-A1 p27 Protein Inducer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-13 — — US disclosed
US-20110009398-A1 p27 Protein Inducer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-13 — — US 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

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-20110009398-A1 p27 Protein Inducer CDKN1A, CDK2, SKP2 MAP2K1 1179/4885MAOB 4111/4885KDM4E 2542/4885
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 MAP2K1 3163/4885MAOB 3526/4885KDM4E 2810/4885
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 3163/4885MAOB 3526/4885KDM4E 2810/4885

“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.