SCHEMBL2012412

SCHEMBL2012412

COCOc1cc2c(cc1NC(=O)CCl)[C@H](NCCc1ccccc1)[C@@H](O)C(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.39
ABCB1 P08183 5/20 0.39
HPGD P15428 1/20 0.38
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MITF O75030 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
CLCN2 P51788 1/20 0.35

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
SCHEMBL2012416 1.00 KCNA5 (0.39) KCNA5ABCB1HPGDKCNH2SMN1; SMN2
SCHEMBL12641484 0.92 KCNA5 (0.39) KCNA5ABCB1HPGDKCNH2SMN1; SMN2
SCHEMBL13094327 0.92 HPGD (0.37) KCNA5HPGDSMN1; SMN2MAPTRECQL
SCHEMBL2013543 0.85 ABCB1 (0.43) KCNA5ABCB1KCNH2MAPK1
SCHEMBL2013544 0.85 ABCB1 (0.43) KCNA5ABCB1KCNH2MAPK1
SCHEMBL2013986 0.83 ABCB1 (0.43) KCNA5ABCB1HPGDKCNH2SMN1; SMN2
SCHEMBL2012327 0.83 ABCB1 (0.43) KCNA5ABCB1HPGDKCNH2SMN1; SMN2
SCHEMBL2875628 0.83 ABCB1 (0.43) KCNA5ABCB1
SCHEMBL2008933 0.83 ABCB1 (0.43) KCNA5ABCB1
SCHEMBL2008931 0.83 ABCB1 (0.43) KCNA5ABCB1

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 KCNA5 101/4885ABCB1 647/4885HPGD 3096/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A KCNA5 67/4885ABCB1 580/4885HPGD 2882/4885

“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.