SCHEMBL23629580

SCHEMBL23629580

CSc1ccc(-c2c(F)c(F)c(C#N)c(F)c2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
USP2 O75604 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PTPN1 P18031 3/20 0.37
CYP11B1 P15538 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
SCHEMBL23957308 0.93 KDM4E (0.43) KDM4EUSP2HPGDTSHRMAPT
SCHEMBL23957261 0.93 KDM4E (0.45) KDM4EUSP2HPGDTSHRMAPT
SCHEMBL9392831 0.81 KDM4E (0.49) KDM4EUSP2HPGDTSHRMAPT
SCHEMBL17711173 0.77 KIF11 (0.44) KDM4ETSHRALDH1A1CYP11B2GRIA4
SCHEMBL23045910 0.76 IDO1 (0.42) KDM4EUSP2HPGDTSHRMAPT
SCHEMBL21905346 0.76 PTGS2 (0.38) ALDH1A1MAPK1LMNAPTGS2PTGS1
SCHEMBL23629590 0.75 KIF11 (0.52) KDM4EMAPTALDH1A1NPSR1GRIA4
SCHEMBL23629573 0.75 PTPN1 (0.50) KDM4EHPGDMAPTMEN1KMT2A
SCHEMBL17711160 0.75 HSD17B10 (0.47) KDM4EHPGDMAPTHSD17B10MEN1
SCHEMBL3950371 0.74 ALDH1A1 (0.42) KDM4EHPGDMAPTMEN1KMT2A

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 4 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

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 1054/4885USP2 3226/4885HPGD 3563/4885
US-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME INTS9, GTF2I, BRI3BP KDM4E 1054/4885USP2 3226/4885HPGD 3563/4885

“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.