SCHEMBL5482045

SCHEMBL5482045

NC1=Nc2ccccc2OC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
GAA P10253 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MAPT P10636 2/20 0.58
NOS3 P29474 3/20 0.50
NOS1 P29475 3/20 0.50
NOS2 P35228 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAOB P27338 4/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
ITGB2 P05107 1/20 0.37

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
SCHEMBL22983154 0.79 NOS3 (0.52) LMNAKDM4EALDH1A1GAANPC1
SCHEMBL2931024 0.77 NPC1 (0.56) LMNAKDM4EALDH1A1GAANPC1
SCHEMBL22983751 0.75 NOS3 (0.57) LMNAKDM4EALDH1A1GAANPC1
SCHEMBL7638391 0.75 KDM4E (0.54) LMNAKDM4EALDH1A1GAANPC1
SCHEMBL11329885 0.75 MAPT (0.44) LMNAKDM4EALDH1A1GAANPC1
SCHEMBL11346261 0.75 BLM (0.43) LMNAKDM4EALDH1A1GAANPC1
SCHEMBL11330892 0.75 ESR1 (0.38) LMNAKDM4EALDH1A1GAANPC1
SCHEMBL2524831 0.74 MAPT (1.00) LMNAKDM4EALDH1A1GAANPC1
SCHEMBL6975593 0.74 LMNA (0.53) LMNAKDM4EALDH1A1GAANPC1
SCHEMBL341904 0.72 KDM4E (0.47) LMNAKDM4EALDH1A1GAANPC1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049583-A1 Benzoxazine and benzothiazine derivatives and their use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2007-03-01 US disclosed
US-7141566-B1 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2006-11-28 US disclosed
US-6914059-B2 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments SCHERING AG (DE) 2005-07-05 US disclosed
US-20050119481-A1 Novel amidine derivatives and the use of the same in pharmaceuticals SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-02 US disclosed
EP-1453794-A1 NOVEL AMIDINE DERIVATIVES AND THE USE OF THE SAME IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-08 EP disclosed
US-20040006075-A1 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments SCHERING AG (DE) 2004-01-08 US disclosed
WO-2003053914-A1 NOVEL AMIDINE DERIVATIVES AND THE USE OF THE SAME IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-03 WO disclosed
EP-1282610-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THE USE THEREOF IN MEDICAMENTS Schering Aktiengesellschaft (DE) 2003-02-12 EP disclosed
EP-1206458-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THE USE THEREOF IN MEDICAMENTS Schering Aktiengesellschaft (DE) 2002-05-22 EP disclosed
WO-2001081323-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THE USE THEREOF IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-01 WO disclosed
WO-2001014347-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THE USE THEREOF IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-01 WO disclosed
US-4307092-A 1-Oxo-5H-pyrimido[2,1-C]benzoxazine-2-carboxylic acid esters AYERST MCKENNA & HARRISON, INC. (CA) 1981-12-22 US disclosed
US-4254121-A 3-Oxo-5H-pyrimido[2,1-c][1,4 ]benzoxazines AYERST, MCKENNA & HARRISON INC. (CA) 1981-03-03 US disclosed
US-4254118-A 1-Oxo-5H-pyrimido[2,1-c][1,4]benzthiazine-2-carboxylic acid esters AYERST, MCKENNA & HARRISON INC. (CA) 1981-03-03 US 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-20040006075-A1 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments CYP4Z1, XDH, CYP3A5 LMNA 1425/4885KDM4E 3426/4885ALDH1A1 998/4885
US-20050119481-A1 Novel amidine derivatives and the use of the same in pharmaceuticals NGLY1, OAT, SLC10A1 LMNA 2598/4885KDM4E 4508/4885ALDH1A1 4216/4885
US-20070049583-A1 Benzoxazine and benzothiazine derivatives and their use in pharmaceutical agents CYP3A5, XDH, CYP4Z1 LMNA 1572/4885KDM4E 3444/4885ALDH1A1 869/4885

“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.