SCHEMBL21116902

SCHEMBL21116902

N#Cc1ccc(-c2ccc(C#N)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 6/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
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
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL21116546 0.96 TSPO (0.40) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL23348550 0.94 ALDH1A1 (0.40) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL28913586 0.94 GABRA1 (0.40) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL22140539 0.92 MAOA (0.41) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL28424749 0.91 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL30311704 0.91 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL21333916 0.91 SMN1; SMN2 (0.42) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL28573129 0.91 KDM4E (0.43) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL25512969 0.91 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL20114663 0.91 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1LMNAHPGD

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-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
EP-3478656-B1 DICARBAZOLE DIPHENYL DERIVATIVES FOR USE IN OPTOPELECTRONIC DEVICES CYNORA GMBH (DE) 2021-09-08 EP 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 CYP11B1 1343/4885CYP11B2 1090/4885ALDH1A1 2702/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 CYP11B1 1257/4885CYP11B2 1121/4885ALDH1A1 2520/4885

“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.