SCHEMBL21116484

SCHEMBL21116484

N#Cc1ccc(-c2ccc(C#N)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IMPDH2 P12268 1/20 0.36
AR P10275 4/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
NR3C1 P04150 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL21116479 1.00 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL17930781 0.92 KDM4E (0.46) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL21116486 0.91 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL21116471 0.91 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL22153776 0.91 KDM4E (0.36) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL22152558 0.91 KDM4E (0.36) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL22153357 0.91 KDM4E (0.36) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL22152890 0.91 KDM4E (0.36) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL22153171 0.91 KDM4E (0.36) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL22153182 0.91 KDM4E (0.36) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1

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 ALDH1A1 2702/4885HPGD 3382/4885SMN1; SMN2 3470/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 ALDH1A1 2520/4885HPGD 3462/4885SMN1; SMN2 3412/4885

“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.