SCHEMBL970968

SCHEMBL970968

c1ccc(-c2nc(-c3cccc4ccccc34)cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 3/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIM1 P11309 2/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41

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
SCHEMBL19130627 0.91 CYP1A1 (0.48) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL973879 0.87 CYP1A1 (0.55) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL970157 0.87 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL20404944 0.86 CYP1A1 (0.51) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL17969923 0.86 CYP1A1 (0.57) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL17970002 0.85 PIM1 (0.51) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL22766694 0.85 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL22766806 0.85 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL24264338 0.85 CYP1A1 (0.48) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL10051200 0.84 PIM1 (0.54) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD

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 325/4885MAPT 2011/4885KDM4E 2066/4885

“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.