SCHEMBL17405276

SCHEMBL17405276

CCc1nc2ccccc2n1-c1ccc(-n2c3ccccc3c3c4c5ccccc5oc4c4c(c5ccccc5n4-c4ccccc4)c32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.41
RECQL P46063 2/20 0.41
PSMD14 O00487 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
PDE10A Q9Y233 4/20 0.39
RAB9A P51151 1/20 0.39
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 2/20 0.36
CA12 O43570 1/20 0.35

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
SCHEMBL17405257 0.95 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2POLBRECQLPSMD14
SCHEMBL17405294 0.94 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBRECQLPSMD14
SCHEMBL17405299 0.93 RAB9A (0.45) ALDH1A1SMN1; SMN2POLBRECQLPSMD14
SCHEMBL17405285 0.89 MAPK1 (0.54) ALDH1A1SMN1; SMN2POLBL3MBTL1KDM4E
SCHEMBL17405255 0.88 USP2 (0.44) ALDH1A1SMN1; SMN2POLBMEN1MAPT
SCHEMBL17405304 0.87 RAB9A (0.41) ALDH1A1SMN1; SMN2POLBRECQLPSMD14
SCHEMBL17405297 0.85 ESR1 (0.50) ALDH1A1SMN1; SMN2RECQLKDM4EMEN1
SCHEMBL17405282 0.85 ESR1 (0.47) ALDH1A1SMN1; SMN2RECQLKDM4EMEN1
SCHEMBL17405283 0.84 MAPK1 (0.49) ALDH1A1SMN1; SMN2POLBL3MBTL1KDM4E
SCHEMBL17405264 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EMEN1MAPT

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 1348/4885SMN1; SMN2 3232/4885POLB 2563/4885

“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.