SCHEMBL29914867

SCHEMBL29914867

N#Cc1ccc(C#N)c(-c2ccccc2)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
HSD17B10 Q99714 5/20 0.47
ALOX15 P16050 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 7/20 0.44
ADORA2A P29274 5/20 0.44
HPGD P15428 3/20 0.44
ADRA2A P08913 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
PDE9A O76083 1/20 0.42
PTPN1 P18031 1/20 0.42
ADORA1 P30542 1/20 0.41
TSHR P16473 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
GRM6 O15303 1/20 0.41

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
SCHEMBL27909136 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10ALOX15SMN1; SMN2HIF1A
SCHEMBL29914887 0.87 CYP11B1 (0.46) ALDH1A1HSD17B10ALOX15SMN1; SMN2HIF1A
SCHEMBL11163889 0.86 ADORA2A (0.45) ALDH1A1HSD17B10ALOX15SMN1; SMN2HIF1A
SCHEMBL15536686 0.84 TSHR (0.45) ALDH1A1HSD17B10ALOX15SMN1; SMN2HIF1A
SCHEMBL16122532 0.84 CYP11B1 (0.44) ALDH1A1HSD17B10ALOX15SMN1; SMN2HIF1A
SCHEMBL21189086 0.84 HSD17B10 (0.49) ALDH1A1HSD17B10ALOX15SMN1; SMN2HIF1A
SCHEMBL5762808 0.84 ALDH1A1 (0.42) ALDH1A1HSD17B10ALOX15SMN1; SMN2HIF1A
SCHEMBL16984847 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10ALOX15SMN1; SMN2HIF1A
SCHEMBL7575609 0.80 IMPDH2 (0.53) ALDH1A1HSD17B10SMN1; SMN2KDM4EADORA2A
SCHEMBL18411452 0.79 TSHR (0.46) ALDH1A1HSD17B10ALOX15SMN1; SMN2HIF1A

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-11444250-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2022-09-13 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-11444250-B2 Composition of matter for use in organic light-emitting diodes CRY2, ALDH1A2, CYBA ALDH1A1 60/4885HSD17B10 2988/4885ALOX15 746/4885

“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.