SCHEMBL21396581

SCHEMBL21396581

N#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(-c2ccc(-n3c4ccccc4c4ncccc43)cc2)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PGR P06401 1/20 0.32
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
AR P10275 2/20 0.31
USP14 P54578 1/20 0.31
NR3C1 P04150 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL21397097 0.99 KDM4E (0.35) CYP11B2KDM4EALDH1A1HTTHSD17B10
SCHEMBL21396876 0.96 KDM4E (0.34) CYP11B2KDM4EALDH1A1HTTHSD17B10
SCHEMBL21397086 0.94 CYP11B2 (0.33) CYP11B2KDM4EALDH1A1HTTHSD17B10
SCHEMBL21396578 0.89 KDM4E (0.33) CYP11B2KDM4EALDH1A1HTTHSD17B10
SCHEMBL21378041 0.89 PDE9A (0.35) CYP11B2KDM4EALDH1A1HTTHSD17B10
SCHEMBL21396835 0.88 ALDH1A1 (0.37) CYP11B2KDM4EALDH1A1ATML3MBTL1
SCHEMBL21396827 0.88 ALDH1A1 (0.38) CYP11B2KDM4EALDH1A1HTTHSD17B10
SCHEMBL23983334 0.85 CYP11B2 (0.33) CYP11B2KDM4EALDH1A1ATML3MBTL1
SCHEMBL23983335 0.85 CYP11B2 (0.33) CYP11B2ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL21911836 0.85 CYP11B2 (0.33) CYP11B2ALDH1A1HPGDLMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 CYP11B2 1221/4885KDM4E 4364/4885ALDH1A1 242/4885

“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.