SCHEMBL961450

SCHEMBL961450

Cc1cc2c(C)c(Cc3ccnc(N)c3)c(=O)oc2cc1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 5/20 0.47
KDM4E B2RXH2 6/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HSD17B3 P37058 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
MAP2K1 Q02750 4/20 0.42
RAF1 P04049 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
STS P08842 1/20 0.41
MAPT P10636 1/20 0.41
MAOB P27338 1/20 0.40
SHBG P04278 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
SCHEMBL961165 0.89 TP53 (0.49) KDM4EGLAGAAHSD17B3NPSR1
SCHEMBL964530 0.89 KDM4E (0.45) NQO1KDM4EGLAGAAHSD17B3
SCHEMBL14048846 0.89 KDM4E (0.45) NQO1KDM4EGLAGAAHSD17B3
SCHEMBL959705 0.85 HSD17B3 (0.65) NQO1KDM4EGLAGAAHSD17B3
SCHEMBL963925 0.80 MAP2K1 (0.40) NQO1KDM4EGLAGAAHSD17B3
SCHEMBL960619 0.80 MAP2K1 (0.42) NQO1KDM4EGLAGAAHSD17B3
SCHEMBL962958 0.80 RAF1 (0.45) NQO1KDM4EGLAGAAHSD17B3
SCHEMBL13391998 0.79 ALDH1A1 (0.54) NQO1KDM4EGAAALDH1A1HPGD
SCHEMBL14246777 0.78 NQO1 (0.53) NQO1KDM4EGLAGAAHSD17B3
SCHEMBL960504 0.76 MAP2K1 (0.65) KDM4EGAAALDH1A1HPGDPOLB

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 11 patents. 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-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-20110009398-A1 p27 Protein Inducer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-13 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

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 472/4885KDM4E 2542/4885GLA 1210/4885
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 84/4885KDM4E 2810/4885GLA 1999/4885
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 84/4885KDM4E 2810/4885GLA 1999/4885

“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.