SCHEMBL971644

SCHEMBL971644

Brc1c2ccccc2c(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 6/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAOB P27338 1/20 0.38
LMNA P02545 5/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL970157 0.90 ALDH1A1 (0.49) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL972800 0.87 ALDH1A1 (0.49) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL12306184 0.86 ALDH1A1 (0.57) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL17969914 0.86 ALDH1A1 (0.57) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL18623342 0.86 ALDH1A1 (0.46) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL18623324 0.85 ALDH1A1 (0.50) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL971029 0.85 MEN1 (0.51) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL973540 0.84 ALDH1A1 (0.49) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL970968 0.83 ALDH1A1 (0.43) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL14725231 0.83 MAPT (0.54) MAPTALDH1A1HPGDKDM4ESMN1; SMN2

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 MAPT 2011/4885ALDH1A1 325/4885HPGD 852/4885

“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.