SCHEMBL960520

SCHEMBL960520

O=c1oc2cc(O)ccc2c(O)c1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 10/20 0.62
MAP2K1 Q02750 1/20 0.55
HSD17B3 P37058 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ERAP1 Q9NZ08 1/20 0.53
VKORC1 Q9BQB6 1/20 0.52
MAOB P27338 2/20 0.51
ESR1 P03372 2/20 0.50
AR P10275 1/20 0.50
POLB P06746 1/20 0.45
ESR2 Q92731 1/20 0.45
MEN1 O00255 1/20 0.45
ABCB11 O95342 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL960967 0.89 KDM4E (0.69) NQO1MAP2K1HSD17B3KDM4EGLA
SCHEMBL962892 0.82 MAP2K1 (0.58) NQO1MAP2K1KDM4EGAAVKORC1
SCHEMBL961140 0.77 MAP2K1 (0.62) NQO1MAP2K1HSD17B3KDM4EGLA
SCHEMBL960393 0.76 HSD17B3 (0.70) NQO1MAP2K1HSD17B3KDM4EGLA
SCHEMBL959672 0.76 MAP2K1 (0.66) MAP2K1HSD17B3KDM4EGLAGAA
SCHEMBL962919 0.76 MAP2K1 (0.66) MAP2K1HSD17B3KDM4EGLAGAA
SCHEMBL961790 0.75 MAP2K1 (0.60) NQO1MAP2K1HSD17B3KDM4EGLA
SCHEMBL962318 0.75 MAP2K1 (0.60) MAP2K1HSD17B3KDM4EGLAGAA
SCHEMBL959503 0.75 MAP2K1 (0.60) NQO1MAP2K1HSD17B3KDM4EGLA
SCHEMBL13391484 0.74 MAP2K1 (0.64) NQO1MAP2K1HSD17B3KDM4EGLA

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 25 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-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
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
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 NQO1 472/4885MAP2K1 1179/4885HSD17B3 2321/4885
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 NQO1 84/4885MAP2K1 3163/4885HSD17B3 704/4885
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 NQO1 84/4885MAP2K1 3163/4885HSD17B3 704/4885

“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.