SCHEMBL2010978

SCHEMBL2010978

O=[C]c1cccc2cnncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 3/20 0.32
CYP3A4 P08684 3/20 0.32
TP53 P04637 2/20 0.32
GOT1 P17174 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
NPC1 O15118 1/20 0.32
MPO P05164 1/20 0.32
PKM P14618 1/20 0.32
MAOA P21397 1/20 0.32
PTGS1 P23219 1/20 0.32
THPO P40225 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2006905 0.76 HTT (0.68) HTTKDM4ECYP3A4TP53SMN1; SMN2
SCHEMBL2006516 0.76 TNF (0.49) HTTCA1CA2KDM4ECYP3A4
SCHEMBL9004 0.73 CA1 (0.52) CA1CA2GRM5CYP3A4ALDH1A1
SCHEMBL1227243 0.71 CA1 (0.38) CA1CA2CYP3A4ALDH1A1CYP1A2
SCHEMBL276977 0.71 KDM4E (0.35) HTTKDM4ECYP3A4TP53GOT1
SCHEMBL12303798 0.71 NPC1 (0.33) KDM4ECYP3A4TP53GOT1SMN1; SMN2
SCHEMBL194326 0.68 ALDH1A1 (0.46) CA1CA2KDM4ECYP3A4SMN1; SMN2
SCHEMBL9097608 0.68 PLAU (0.53) HTTKDM4ECYP3A4TP53SMN1; SMN2
SCHEMBL6443578 0.67 ALDH1A1 (0.45) CA1CA2CYP3A4TP53ALDH1A1
SCHEMBL3629439 0.67 KDM4E (0.52) HTTCA1CA2KDM4ESMN1; SMN2

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 8 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
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
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 (3 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 HTT 3872/4885CA1 957/4885CA2 570/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE HTT 2707/4885CA1 1072/4885CA2 783/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A HTT 3926/4885CA1 1145/4885CA2 539/4885

“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.