SCHEMBL6546458

SCHEMBL6546458

O=C(O)/C=C/C(=O)Nc1ccccc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.77
MAPT P10636 3/20 0.77
PKM P14618 2/20 0.77
MMP1 P03956 4/20 0.70
MMP2 P08253 4/20 0.70
MMP9 P14780 4/20 0.70
ALDH1A1 P00352 8/20 0.67
HPGD P15428 3/20 0.65
MEN1 O00255 1/20 0.65
CYP2C9 P11712 1/20 0.65
KMT2A Q03164 1/20 0.65
LPAR2 Q9HBW0 1/20 0.64
LPAR3 Q9UBY5 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 2/20 0.61
GAA P10253 1/20 0.61
HTT P42858 4/20 0.59
RECQL P46063 1/20 0.59
CYP1A2 P05177 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL9314178 1.00 KDM4E (0.77) KDM4EMAPTPKMMMP1MMP2
SCHEMBL5176156 1.00 KDM4E (0.77) KDM4EMAPTPKMMMP1MMP2
SCHEMBL5177416 1.00 KDM4E (0.77) KDM4EMAPTPKMMMP1MMP2
SCHEMBL7771097 0.92 MMP1 (0.73) KDM4EMAPTPKMMMP1MMP2
SCHEMBL7771073 0.92 MMP1 (0.73) KDM4EMAPTPKMMMP1MMP2
SCHEMBL11140030 0.88 KDM4E (0.81) KDM4EMAPTPKMALDH1A1HPGD
SCHEMBL11140025 0.88 KDM4E (0.81) KDM4EMAPTPKMALDH1A1HPGD
SCHEMBL5176155 0.85 MMP1 (0.65) KDM4EMAPTPKMMMP1MMP2
SCHEMBL5177059 0.85 MMP1 (0.65) KDM4EMAPTPKMMMP1MMP2
SCHEMBL5176144 0.85 MMP1 (0.65) KDM4EMAPTPKMMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
EP-2686306-B1 BENZO[B][1,4]OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2017-01-04 EP disclosed
US-9464063-B2 Benzo [B] [1,4] oxazin derivatives as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-10-11 US disclosed
US-20140018358-A1 BENZO [B] [1,4] OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2014-01-16 US disclosed
US-20040110256-A1 Method of decomposing unsaturated carboxylic acid copolymer IDEMITSU KOSAN CO. LTD. (JP) 2004-06-10 US disclosed
EP-1382671-A1 METHOD OF DECOMPOSING UNSATURATED CARBOXYLIC ACID COPOLYMER IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-01-21 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 (1 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-20140018358-A1 BENZO [B] [1,4] OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR1, RYR2 KDM4E 4297/4885MAPT 2509/4885PKM 1437/4885

“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.