SCHEMBL17405264

SCHEMBL17405264

CCn1c(-c2ccc(-n3c4ccccc4c4c5c6ccccc6oc5c5c(c6ccccc6n5-c5ccccc5)c43)cc2)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
KDM4E B2RXH2 7/20 0.47
HPGD P15428 6/20 0.47
NPSR1 Q6W5P4 3/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
NLRP3 Q96P20 1/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 3/20 0.39
PTGER4 P35408 1/20 0.38

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
SCHEMBL17405295 0.93 KDM4E (0.47) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL17405265 0.92 TP53 (0.40) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL17405258 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL17405282 0.88 ESR1 (0.47) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL17405266 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL17405297 0.86 ESR1 (0.50) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL17405270 0.85 MAPT (0.48) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL17405276 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL17405285 0.83 MAPK1 (0.54) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL15930402 0.83 KDM4E (0.48) ALDH1A1KDM4EHPGDNPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 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 (1 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-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE ODC1, NOTUM, OR10J3 ALDH1A1 1348/4885KDM4E 1073/4885HPGD 821/4885

“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.