SCHEMBL2204413

SCHEMBL2204413

c1ccc(N=C2C(=Nc3ccccc3)C(=Nc3ccccc3)C2=Nc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
IDO1 P14902 1/20 0.46
LRRK2 Q5S007 1/20 0.46
TTR P02766 1/20 0.43
MIF P14174 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
HTR3B O95264 1/20 0.41
PLAU P00749 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39

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
SCHEMBL18805368 1.00 ALDH1A1 (0.55) ALDH1A1IDO1LRRK2TTRMIF
SCHEMBL14806769 0.84 ALDH1A1 (0.79) ALDH1A1IDO1LRRK2TTRSMN1; SMN2
SCHEMBL9510943 0.82 ALDH1A1 (0.84) ALDH1A1IDO1LRRK2TTRSMN1; SMN2
SCHEMBL4402316 0.78 ALDH1A1 (0.42) ALDH1A1IDO1LRRK2TTRSMN1; SMN2
SCHEMBL4726618 0.74 ALDH1A1 (0.62) ALDH1A1IDO1LRRK2TTRSMN1; SMN2
SCHEMBL34461896 0.74 ALDH1A1 (0.62) ALDH1A1IDO1LRRK2TTRSMN1; SMN2
SCHEMBL31282241 0.74 ALDH1A1 (0.54) ALDH1A1IDO1LRRK2TTRSMN1; SMN2
SCHEMBL755432 0.73 ALDH1A1 (0.47) ALDH1A1IDO1LRRK2MIFHTR3E
SCHEMBL14252204 0.72 ALDH1A1 (0.54) ALDH1A1IDO1LRRK2TTRMAPT
SCHEMBL18786507 0.71 ALDH1A1 (0.45) ALDH1A1IDO1LRRK2MIFHTR3E

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-11342504-B2 Oxocarbon-, pseudooxocarbon- and radialene compounds and their use NOVALED GMBH (DE) 2022-05-24 US disclosed
US-20200152873-A1 Oxocarbon-, Pseudooxocarbon- and Radialene Compounds and Their Use NOVALED GMBH (DE) 2020-05-14 US disclosed
US-10586926-B2 Oxocarbon-, pseudooxocarbon- and radialene compounds and their use NOVALED GMBH (DE) 2020-03-10 US disclosed
US-20180076389-A1 Oxocarbon-, Pseudooxocarbon- and Radialene Compounds and Their Use NOVALED GMBH (DE) 2018-03-15 US disclosed
US-9876172-B2 Oxocarbon-, pseudooxocarbon- and radialene compounds and their use NOVALED GMBH (DE) 2018-01-23 US disclosed
US-20150097146-A1 Oxocarbon-, Pseudooxocarbon- and Radialene Compounds and Their Use NOVALED GMBH (DE) 2015-04-09 US disclosed
US-8911645-B2 Oxocarbon-, pseudooxocarbon- and radialene compounds and their use NOVALED AG (DE) 2014-12-16 US disclosed
US-20140070145-A1 Oxocarbon-, Pseudooxocarbon- and Radialene Compounds and Their Use NOVALED AG (DE) 2014-03-13 US disclosed
US-8617426-B2 Oxocarbon-, pseudooxocarbon- and radialene compounds and their use NOVALED AG (DE) 2013-12-31 US disclosed
US-20110309309-A1 Oxocarbon-, Pseudooxocarbon- and Radialene Compounds and Their Use NOVALED AG (DE) 2011-12-22 US disclosed
US-7981324-B2 Oxocarbon-, pseudooxocarbon- and radialene compounds and their use NOVALED AG (DE) 2011-07-19 US disclosed
US-20080265216-A1 Use as doping agent for doping organic semiconductive matrix material, as blocker material, as charge injection layer, as electrode material as well as organic semiconductor, electronic component; 1,3-Bi(dicyanomethylene)indane-2-ylidene-bis(4-oxo-[3,5-di-t-butyl]-2,5-cyclohexadienylidene)cyclopropane NOVALED AG (DE) 2008-10-30 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 (6 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-20180076389-A1 Oxocarbon-, Pseudooxocarbon- and Radialene Compounds and Their Use DNMT3B, CHRNB1, CHRNB2 ALDH1A1 4459/4885IDO1 1327/4885LRRK2 4152/4885
US-20200152873-A1 Oxocarbon-, Pseudooxocarbon- and Radialene Compounds and Their Use DNMT3B, CHRNB1, CHRNB2 ALDH1A1 4459/4885IDO1 1327/4885LRRK2 4152/4885
US-10586926-B2 Oxocarbon-, pseudooxocarbon- and radialene compounds and their use DNMT3B, CHRNB1, CHRNB2 ALDH1A1 4459/4885IDO1 1327/4885LRRK2 4152/4885
US-11342504-B2 Oxocarbon-, pseudooxocarbon- and radialene compounds and their use DNMT3B, CHRNB1, CHRNB2 ALDH1A1 4459/4885IDO1 1327/4885LRRK2 4152/4885
US-20110309309-A1 Oxocarbon-, Pseudooxocarbon- and Radialene Compounds and Their Use DNMT3B, CHRNB1, CHRNB2 ALDH1A1 4459/4885IDO1 1327/4885LRRK2 4152/4885
US-20080265216-A1 Use as doping agent for doping organic semiconductive matrix material, as blocker material, as charge injection layer, as electrode material as well as organic semiconductor, electronic component; 1,3-Bi(dicyanomethylene)indane-2-ylidene-bis(4-oxo-[3,5-di-t-butyl]-2,5-cyclohexadienylidene)cyclopropane CHRNB1, GJB2, CHRNB3 ALDH1A1 3361/4885IDO1 276/4885LRRK2 3693/4885

“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.