SCHEMBL23629596

SCHEMBL23629596

N#Cc1c(F)c(F)c(-c2cccnc2)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
HSD17B10 Q99714 3/20 0.51
HTT P42858 2/20 0.51
CYP11B2 P19099 3/20 0.50
RXFP1 Q9HBX9 1/20 0.49
ADORA1 P30542 3/20 0.48
ADORA2A P29274 2/20 0.48
ALDH1A1 P00352 5/20 0.47
GAA P10253 4/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
GLA P06280 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
SQOR Q9Y6N5 1/20 0.45
ADORA2B P29275 1/20 0.44

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
SCHEMBL21578105 0.85 CYP2A6 (0.64) KDM4EHSD17B10HTTCYP11B2ALDH1A1
SCHEMBL4147013 0.83 CYP2A6 (0.61) KDM4EHSD17B10HTTCYP11B2ALDH1A1
SCHEMBL21677421 0.78 KDM4E (0.42) KDM4EHSD17B10ADORA1ADORA2AALDH1A1
SCHEMBL21578019 0.78 CYP2A6 (0.54) KDM4EHSD17B10HTTCYP11B2ALDH1A1
SCHEMBL23629597 0.78 MET (0.35) KDM4ECYP11B2ALDH1A1GAAHPGD
SCHEMBL17711160 0.77 HSD17B10 (0.47) KDM4EHSD17B10HTTADORA1ADORA2A
SCHEMBL20740880 0.77 RXFP1 (0.54) KDM4EHSD17B10HTTCYP11B2RXFP1
SCHEMBL25992022 0.76 ADORA1 (0.63) KDM4EHSD17B10HTTCYP11B2RXFP1
SCHEMBL23629579 0.74 HSD17B10 (0.44) KDM4EHSD17B10HTTADORA1ADORA2A
SCHEMBL12999315 0.74 CYP2A6 (0.48) KDM4EHSD17B10HTTCYP11B2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122768-B2 Benzonitrile derivative, light-emitting material, and light-emitting element using same KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2024-10-22 US disclosed
US-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2021-10-28 US disclosed
US-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2021-10-28 US disclosed
EP-3848352-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME Kyushu University, National University Corporation (JP) 2021-07-14 EP disclosed
CN-112638874-A Benzonitrile derivative, light-emitting material, and light-emitting element using the same 国立大学法人九州大学 2021-04-09 CN 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-12122768-B2 Benzonitrile derivative, light-emitting material, and light-emitting element using same INTS9, GTF2I, BRI3BP KDM4E 1054/4885HSD17B10 4149/4885HTT 2236/4885
US-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME INTS9, GTF2I, BRI3BP KDM4E 1054/4885HSD17B10 4149/4885HTT 2236/4885

“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.