SCHEMBL2469646

SCHEMBL2469646

CCOC(=O)c1ccc(C(N)c2ncc[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
ESR1 P03372 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ESR2 Q92731 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.44
RGS12 O14924 1/20 0.41
STS P08842 1/20 0.41
PARP1 P09874 1/20 0.41
NUDT1 P36639 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 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
SCHEMBL3894639 0.77 KDM4E (0.73) CYP1A2LMNACYP3A4MAOACA1
SCHEMBL2471280 0.76 NISCH (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL9678668 0.75 LMNA (0.57) CYP1A2LMNACYP3A4MAOACA1
SCHEMBL22013217 0.74 LMNA (0.65) CYP1A2LMNACYP3A4MAOACA1
SCHEMBL31623394 0.73 LMNA (0.62) CYP1A2LMNACYP3A4MAOACA1
SCHEMBL5734414 0.73 LMNA (0.62) CYP1A2LMNACYP3A4MAOACA1
SCHEMBL17524449 0.73 LMNA (0.62) CYP1A2LMNACYP3A4MAOACA1
SCHEMBL31623395 0.73 LMNA (0.62) CYP1A2LMNACYP3A4MAOACA1
SCHEMBL2470670 0.72 FPR2 (0.46) CYP1A2CYP3A4CA1CA2CA12
SCHEMBL14661491 0.72 LMNA (0.57) CYP1A2LMNACYP3A4MAOACA1

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
EP-1546136-B1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RES INST CHEM TECH (KR) 2011-10-05 EP disclosed
US-7279497-B2 Benzopyran derivatives substituted with secondary amines including imidazole, their preparation and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-10-09 US disclosed
EP-1546136-A4 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RES INST CHEM TECH (KR) 2007-01-24 EP disclosed
US-20050267188-A1 Therapy of cancer, rheumatoid arthritis, and diabetic retinopathies through anti-angiogenic properties, for protection of heart, neuronal cells, brain injury, organs for preservation or in cardiovascular surgery against ischemia-reperfusion injury or oxidative stress KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-12-01 US disclosed
EP-1546136-A1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Korea Research Institute of Chemical Technology (KR) 2005-06-29 EP disclosed
WO-2004014898-A1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-02-19 WO 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-20050267188-A1 Therapy of cancer, rheumatoid arthritis, and diabetic retinopathies through anti-angiogenic properties, for protection of heart, neuronal cells, brain injury, organs for preservation or in cardiovascular surgery against ischemia-reperfusion injury or oxidative stress FLT4, ALDH1A2, KDR CYP1A2 3901/4885LMNA 4091/4885CYP3A4 4015/4885

“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.