SCHEMBL21116458

SCHEMBL21116458

N#Cc1ccc(-c2ccc(C#N)c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c2)cc1-n1c2cc(-c3ccccc3)ccc2c2ccc(-c3ccccc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HIF1A Q16665 1/20 0.39
MAOA P21397 4/20 0.39
MAOB P27338 3/20 0.39
MCL1 Q07820 2/20 0.39
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 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
SCHEMBL21116457 0.96 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1
SCHEMBL23348550 0.94 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1
SCHEMBL28573129 0.91 KDM4E (0.43) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1
SCHEMBL21116512 0.88 CHEK1 (0.40) CYP11B1CYP11B2
SCHEMBL21116902 0.88 CYP11B1 (0.42) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1
SCHEMBL21116510 0.87 CHEK1 (0.36) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1
SCHEMBL21116875 0.87 ESR2 (0.44) ALDH1A1LMNAHPGDMAPK1KDM4E
SCHEMBL17570575 0.87 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1
SCHEMBL21116546 0.87 TSPO (0.40) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1
SCHEMBL20114668 0.86 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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 (2 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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 ALDH1A1 2702/4885SMN1; SMN2 3470/4885LMNA 3084/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 ALDH1A1 2520/4885SMN1; SMN2 3412/4885LMNA 2970/4885

“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.