SCHEMBL971520

SCHEMBL971520

c1ccc(-c2nc(-c3ccccn3)cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
TP53 P04637 3/20 0.48
TSHR P16473 3/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
PKM P14618 2/20 0.48
KLF5 Q13887 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP2C9 P11712 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
ADORA3 P0DMS8 3/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
MEN1 O00255 4/20 0.40

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
SCHEMBL12579271 0.91 MAPT (0.49) SMN1; SMN2HSD17B10ALDH1A1KDM4ETP53
SCHEMBL15977734 0.88 KDM4E (0.47) SMN1; SMN2HSD17B10ALDH1A1KDM4ETP53
SCHEMBL15977456 0.88 KDM4E (0.49) SMN1; SMN2HSD17B10ALDH1A1KDM4ETP53
SCHEMBL24662785 0.87 KDM4E (0.55) SMN1; SMN2HSD17B10ALDH1A1KDM4ETP53
SCHEMBL18334154 0.87 CCR1 (0.45) SMN1; SMN2HSD17B10ALDH1A1KDM4ETP53
SCHEMBL973879 0.86 CYP1A1 (0.55) SMN1; SMN2HSD17B10ALDH1A1KDM4ETP53
SCHEMBL17013900 0.86 ALDH1A1 (0.47) SMN1; SMN2HSD17B10ALDH1A1KDM4ETP53
SCHEMBL13154553 0.85 KDM4E (0.55) SMN1; SMN2HSD17B10ALDH1A1KDM4ETP53
SCHEMBL972054 0.85 CCR1 (0.51) SMN1; SMN2HSD17B10ALDH1A1KDM4ETP53
SCHEMBL973168 0.85 ADORA3 (0.49) SMN1; SMN2HSD17B10ALDH1A1KDM4ETP53

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 SMN1; SMN2 1021/4885HSD17B10 3837/4885ALDH1A1 325/4885

“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.