SCHEMBL23629595

SCHEMBL23629595

N#Cc1c(F)c(F)c(-c2ccccc2)c(F)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
ALOX15 P16050 2/20 0.44
KDM4E B2RXH2 3/20 0.41
MAPT P10636 1/20 0.41
ADORA1 P30542 7/20 0.41
ADORA2A P29274 6/20 0.41
ADORA2B P29275 2/20 0.41
ADRA2A P08913 1/20 0.40
HTT P42858 1/20 0.40
PDE9A O76083 1/20 0.40
PTPN1 P18031 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DHODH Q02127 1/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
IDO1 P14902 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL23629584 0.94 ALDH1A1 (0.46) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL21913682 0.92 ALDH1A1 (0.47) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL21454597 0.92 ALDH1A1 (0.47) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL17711160 0.92 HSD17B10 (0.47) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL24701503 0.90 ALDH1A1 (0.46) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL23174834 0.90 ALDH1A1 (0.48) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL23629579 0.88 HSD17B10 (0.44) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL5454721 0.88 HSD17B10 (0.44) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL21913681 0.88 HSD17B10 (0.47) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL21913743 0.88 ALDH1A1 (0.47) ALDH1A1HSD17B10ALOX15KDM4EMAPT

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 7 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-20230212177-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT KYULUX, INC. (JP) 2023-07-06 US disclosed
US-20230212177-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT KYULUX, INC. (JP) 2023-07-06 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 (3 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 ALDH1A1 666/4885HSD17B10 4149/4885ALOX15 1833/4885
US-20230212177-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT CRY1, CRY2, NR2E3 ALDH1A1 444/4885HSD17B10 3168/4885ALOX15 1468/4885
US-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME INTS9, GTF2I, BRI3BP ALDH1A1 666/4885HSD17B10 4149/4885ALOX15 1833/4885

“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.