SCHEMBL970157

SCHEMBL970157

c1ccc(-c2nc(-c3cccc4ccccc34)cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HPGD P15428 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 5/20 0.49
KDM4E B2RXH2 5/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOB P27338 1/20 0.40
NTSR1 P30989 1/20 0.40
LMNA P02545 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
SCHEMBL973540 0.94 ALDH1A1 (0.49) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL972800 0.91 ALDH1A1 (0.49) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL17969914 0.90 ALDH1A1 (0.57) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL12306184 0.90 ALDH1A1 (0.57) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL971644 0.90 MAPT (0.46) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL18623342 0.90 ALDH1A1 (0.46) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL18623324 0.89 ALDH1A1 (0.50) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL970968 0.87 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL14725231 0.87 MAPT (0.54) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL12306182 0.87 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867629-B2 Nitrogenous heterocyclic derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-01-11 US disclosed
US-20060154105-A1 Nitrogenous heterocyclic derivative and organic elecrtroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-07-13 US disclosed
EP-1582516-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-10-05 EP 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-20060154105-A1 Nitrogenous heterocyclic derivative and organic elecrtroluminescent element employing the same L1CAM, NOTCH1, NUDC ALDH1A1 325/4885HPGD 852/4885MEN1 765/4885

“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.