SCHEMBL959463

SCHEMBL959463

Cc1c(Nc2cccc([N+](=O)[O-])c2)c(=O)oc2cc(O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 6/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 1/20 0.51
MAOB P27338 2/20 0.50
RAB9A P51151 1/20 0.47
ERAP1 Q9NZ08 2/20 0.46
VKORC1 Q9BQB6 1/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
CA12 O43570 1/20 0.44
LMNA P02545 1/20 0.44
CA9 Q16790 1/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL959533 0.81 HSD17B3 (0.56) HSD17B3ERAP1GAAALDH1A1KDM4E
SCHEMBL960967 0.77 KDM4E (0.69) HSD17B3MAPTMAOBERAP1GAA
SCHEMBL10791689 0.77 HSD17B3 (0.56) HSD17B3MAOBERAP1GAAKDM4E
SCHEMBL960461 0.74 MAP1LC3B (0.50) HSD17B3MAPTRAB9AERAP1GAA
SCHEMBL965414 0.72 ALPL (0.52) HSD17B3ERAP1GAAALDH1A1SMN1; SMN2
SCHEMBL1317544 0.72 PDE2A (0.69) HSD17B3MAPTHTTRAB9AGAA
SCHEMBL10791803 0.71 HSD17B3 (0.62) HSD17B3HTTMAOBERAP1KMT2A
SCHEMBL12298179 0.71 LMNA (0.60) HSD17B3MAPTHTTALDH1A1KMT2A
SCHEMBL960393 0.70 HSD17B3 (0.70) HSD17B3MAPTMAOBERAP1GAA
SCHEMBL591899 0.70 HSD17B3 (1.00) HSD17B3MAOBERAP1GAAALDH1A1

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
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-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
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 (2 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 HSD17B3 2321/4885MAPT 4152/4885HTT 4427/4885
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 HSD17B3 704/4885MAPT 4754/4885HTT 4166/4885

“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.