SCHEMBL2006998

SCHEMBL2006998

CC1(C)Oc2ccc3nc(Cl)ccc3c2[C@H](O)[C@H]1Br

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
ABCC9 O60706 2/20 0.33
IDO1 P14902 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RCE1 Q9Y256 1/20 0.31
KCNE1 P15382 1/20 0.30
KCNQ1 P51787 1/20 0.30

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
SCHEMBL12580476 0.82 L3MBTL1 (0.34) L3MBTL1IDO1
SCHEMBL2015495 0.81 ABCC9 (0.35) L3MBTL1ABCC9IDO1KDM4E
SCHEMBL2010423 0.71 ABCB1 (0.43) ABCC9IDO1
SCHEMBL11187831 0.71 IDO1 (0.40) L3MBTL1ABCC9IDO1KDM4EALDH1A1
SCHEMBL11187828 0.71 IDO1 (0.40) L3MBTL1ABCC9IDO1KDM4EALDH1A1
SCHEMBL2869271 0.70 KDM4E (0.38) ABCC9IDO1KDM4E
SCHEMBL2869272 0.70 KDM4E (0.38) ABCC9IDO1KDM4E
SCHEMBL10638845 0.69 KCNE1 (0.52) ABCC9IDO1KCNE1KCNQ1
SCHEMBL10638859 0.69 KCNE1 (0.52) ABCC9IDO1KCNE1KCNQ1
SCHEMBL10644259 0.65 IDO1 (0.49) L3MBTL1ABCC9IDO1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 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 (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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 L3MBTL1 1562/4885ABCC9 10/4885IDO1 2850/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A L3MBTL1 1399/4885ABCC9 20/4885IDO1 3364/4885

“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.