SCHEMBL17405249

SCHEMBL17405249

Cc1nc2ccccc2n1-c1cccc(-n2c3ccccc3c3c4c5ccccc5oc4c4c(c5ccccc5n4-c4ccccc4)c32)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
PPARG P37231 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL17405285 0.95 MAPK1 (0.54) MAPK1HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17405283 0.91 MAPK1 (0.49) MAPK1HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17405257 0.89 SMN1; SMN2 (0.43) MAPK1HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17405306 0.89 ESR1 (0.45) MAPK1HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17405252 0.87 ESR1 (0.42) MAPK1HTTLMNAALDH1A1PPARG
SCHEMBL17405255 0.86 USP2 (0.44) SMN1; SMN2LMNAALDH1A1POLB
SCHEMBL17405177 0.84 HSD17B10 (0.41) MAPK1HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17405276 0.84 ALDH1A1 (0.45) MAPK1HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17405282 0.83 ESR1 (0.47) MAPK1HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL17405297 0.83 ESR1 (0.50) MAPK1HTTSMN1; SMN2LMNAALDH1A1

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 MAPK1 3181/4885HTT 2182/4885SMN1; SMN2 3232/4885

“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.