SCHEMBL17405778

SCHEMBL17405778

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6c6oc7ccccc7c6c54)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
MAPT P10636 7/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
HPGD P15428 4/20 0.37
NTSR1 P30989 1/20 0.37
TSHR P16473 3/20 0.36
PPARG P37231 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
KDM4E B2RXH2 7/20 0.34
LMNA P02545 6/20 0.34
POLB P06746 3/20 0.34
HSD17B10 Q99714 3/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRCA1 P38398 1/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL17405378 1.00 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL17405369 1.00 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL17405768 1.00 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL17405274 0.97 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL17406080 0.97 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL17405355 0.97 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL17406089 0.97 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL17405281 0.96 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL17405724 0.96 MAPT (0.37) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL17405720 0.96 MAPT (0.37) ALDH1A1MAPTMEN1KMT2AHPGD

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 1348/4885MAPT 2869/4885MEN1 1833/4885

“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.