SCHEMBL1082365

SCHEMBL1082365

CCCCCn1nc(C)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
MGLL Q99685 2/20 0.35
FAAH O00519 1/20 0.35
TLR8 Q9NR97 3/20 0.35
TSHR P16473 1/20 0.35
CYP19A1 P11511 1/20 0.35
GBA1 P04062 1/20 0.34
NR1H3 Q13133 1/20 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
SCHEMBL22421203 0.81 TOP2A (0.42) TOP2AALDH1A1TSHR
SCHEMBL16252137 0.74 TLR8 (0.43) TOP2AALDH1A1MAPTPTGS1PTGS2
SCHEMBL16252135 0.74 TLR8 (0.43) TOP2AALDH1A1MAPTPTGS1PTGS2
SCHEMBL16252163 0.73 CSNK2A2 (0.38) TOP2AALDH1A1GAAMAPTTHRB
SCHEMBL16252164 0.73 CSNK2A2 (0.38) TOP2AALDH1A1GAAMAPTTHRB
SCHEMBL4397503 0.73 KMT2A (0.41)
SCHEMBL169024 0.73 TLR8 (0.53) ALDH1A1MAPTTLR8
SCHEMBL11325500 0.72 TLR8 (0.54) ALDH1A1MAPTTLR8
SCHEMBL892083 0.72 TLR8 (0.54) ALDH1A1MAPTTLR8
SCHEMBL4413802 0.72 TRPV1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893718-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES AND BENOTRIAZOLES UDC IRELAND LTD (IE) 2018-10-03 EP disclosed
EP-1966343-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES UDC IRELAND LTD (IE) 2017-04-19 EP disclosed
US-9362510-B2 Electroluminescent metal complexes with benzotriazoles BASF SE (DE) 2016-06-07 US disclosed
US-8080667-B2 Electroluminescent metal complexes with triazoles and benzotriazoles BASF SE (DE) 2011-12-20 US disclosed
US-7928242-B2 Electroluminescent metal complexes with triazoles BASF SE (DE) 2011-04-19 US disclosed
EP-2112994-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES BASF SE (DE) 2011-01-26 EP disclosed
US-7820828-B2 Electroluminescent metal complexes with triazoles and benzotriazoles CIBA SPECIALTY CHEMICALS CORP. (US) 2010-10-26 US disclosed
US-20100244014-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES AND BENZOTRIAZOLES UDC IRELAND LIMITED (IE) 2010-09-30 US disclosed
US-20100108994-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES UDC IRELAND LIMITED (IE) 2010-05-06 US disclosed
EP-2112994-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES BASF SE (DE) 2009-11-04 EP disclosed
US-20090062560-A1 Electroluminescent Metal Complexes With Triazoles CIBA CORPORATION (US) 2009-03-05 US disclosed
EP-1966343-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES Ciba SC Holding AG (CH) 2008-09-10 EP disclosed
WO-2008101842-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES BASF SE (CH) 2008-08-28 WO disclosed
EP-1893718-A2 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES AND BENOTRIAZOLES Ciba Specialty Chemicals Holding Inc. (CH) 2008-03-05 EP disclosed
US-20080015355-A1 Electroluminescent Metal Complexes With Triazoles And Benzotriazoles UDC IRELAND LIMITED (IE) 2008-01-17 US disclosed
WO-2007074093-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES CIBA HOLDING INC. (CH) 2007-07-05 WO disclosed
WO-2006000544-A2 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES AND BENZOTRIAZOLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-01-05 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-20100244014-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES AND BENZOTRIAZOLES OCIAD1, OXA1L, OCIAD2 TOP2A 3150/4885ALDH1A1 485/4885GAA 1978/4885
US-20080015355-A1 Electroluminescent Metal Complexes With Triazoles And Benzotriazoles OCIAD1, OXA1L, OCIAD2 TOP2A 3255/4885ALDH1A1 453/4885GAA 1834/4885
US-20100108994-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES OCIAD1, OCIAD2, OXA1L TOP2A 3194/4885ALDH1A1 320/4885GAA 2269/4885
US-20090062560-A1 Electroluminescent Metal Complexes With Triazoles OCIAD1, OCIAD2, CCND3 TOP2A 2285/4885ALDH1A1 297/4885GAA 4149/4885

“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.