SCHEMBL2014440

SCHEMBL2014440

[NH]c1cc2cccnc2cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
HTT P42858 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CASP1 P29466 2/20 0.47
ATM Q13315 2/20 0.47
TP53 P04637 2/20 0.47
HSP90AA1 P07900 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSP90AB1 P08238 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
CASP6 P55212 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL2011309 0.83 NPC1 (0.55) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL276949 0.75 ALDH1A1 (0.52) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL2736738 0.75 CYP1A2 (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL276948 0.75 NPC1 (0.50) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL1097563 0.75 PDPK1 (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL23976318 0.75 NR4A2 (0.52) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL18459133 0.75 NPC1 (0.50) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL30225346 0.75 NR4A2 (0.52) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL150476 0.74 NPC1 (0.65) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL29350099 0.74 NPC1 (0.65) NPC1POLBRAB9AALDH1A1MAPT

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 10 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

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 NPC1 3313/4885POLB 3805/4885RAB9A 774/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE NPC1 4142/4885POLB 590/4885RAB9A 427/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 NPC1 3663/4885POLB 2256/4885RAB9A 969/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A NPC1 3638/4885POLB 3614/4885RAB9A 964/4885

“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.