SCHEMBL22985205

SCHEMBL22985205

N#Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)ccc2C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
XDH P47989 2/20 0.36
NR3C1 P04150 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
AR P10275 2/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.30
PTPN5 P54829 1/20 0.30

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
SCHEMBL22985203 0.97 ALOX5AP (0.36) ALOX5APFEN1XDHNR3C1ALDH1A1
SCHEMBL22243210 0.94 ABCG2 (0.36) XDHNR3C1ALDH1A1SMN1; SMN2LMNA
SCHEMBL20848826 0.93 AR (0.36) ALOX5APFEN1XDHNR3C1ALDH1A1
SCHEMBL22985415 0.92 ALOX5AP (0.39) ALOX5APFEN1XDHNR3C1ALDH1A1
SCHEMBL20793935 0.91 ABCG2 (0.35) NR3C1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL20849560 0.91 AR (0.35) XDHNR3C1ABCG2AR
SCHEMBL22243213 0.91 AR (0.35) XDHNR3C1ABCG2AR
SCHEMBL22985192 0.90 ALOX5AP (0.40) ALOX5APFEN1XDHNR3C1ALDH1A1
SCHEMBL21364817 0.90 NR3C1 (0.39) ALOX5APFEN1XDHNR3C1LMNA
SCHEMBL20910469 0.90 NR3C1 (0.39) ALOX5APFEN1XDHNR3C1ALDH1A1

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-10919880-B2 Organic molecules, in particular for use in optoelectronic devices CYNORA GMBH (DE) 2021-02-16 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-10919880-B2 Organic molecules, in particular for use in optoelectronic devices OCIAD1, OCIAD2, POU2F1 ALOX5AP 2567/4885FEN1 2939/4885XDH 1167/4885

“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.