SCHEMBL2013139

SCHEMBL2013139

[NH]c1ccnc2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
MAPT P10636 5/20 0.42
LMNA P02545 6/20 0.41
HSP90AA1 P07900 7/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 3/20 0.34
HTT P42858 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
TP53 P04637 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
TDP1 Q9NUW8 4/20 0.34
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 3/20 0.34
HIF1A Q16665 3/20 0.34
SLC6A2 P23975 2/20 0.34
USP2 O75604 2/20 0.34
EGFR P00533 2/20 0.34
HSP90AB1 P08238 2/20 0.34

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
SCHEMBL277430 0.71 KDM4E (0.42) KDM4EMAPTLMNAHSP90AA1NPC1
SCHEMBL2323949 0.71 KDM4E (0.48) KDM4EMAPTLMNAHSP90AA1NPC1
SCHEMBL277431 0.71 KDM4E (0.44) KDM4EMAPTLMNAHSP90AA1NPC1
SCHEMBL252078 0.71 NCF1 (0.56) KDM4EMAPTLMNAHSP90AA1CYP3A4
SCHEMBL1907362 0.71 KDM4E (0.47) KDM4EMAPTLMNAHSP90AA1NPC1
SCHEMBL3152309 0.71 CCR1 (0.52) KDM4EMAPTLMNAHSP90AA1NPC1
SCHEMBL19444882 0.71 PSMD14 (0.44) KDM4EMAPTLMNAHSP90AA1NPC1
SCHEMBL11103344 0.71 HSP90AA1 (0.47) KDM4EMAPTLMNAHSP90AA1NPC1
SCHEMBL20759393 0.71 KDM4E (0.48) KDM4EMAPTLMNAHSP90AA1NPC1
SCHEMBL407718 0.71 NCF1 (0.56) KDM4EMAPTLMNANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US 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
EP-2133343-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-12-16 EP disclosed
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 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 (4 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 KDM4E 3259/4885MAPT 4877/4885LMNA 2860/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE KDM4E 2563/4885MAPT 4000/4885LMNA 1929/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 KDM4E 3246/4885MAPT 4272/4885LMNA 2779/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A KDM4E 3021/4885MAPT 4875/4885LMNA 2770/4885

“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.