SCHEMBL23629593

SCHEMBL23629593

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-c2cncnc2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.32
KIF11 P52732 1/20 0.31
CYP11B2 P19099 2/20 0.31
DHODH Q02127 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GRM2 Q14416 1/20 0.31
CYP11B1 P15538 1/20 0.31
MAOA P21397 1/20 0.31
GRIA2 P42262 1/20 0.30
GRIA4 P48058 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
SCHEMBL23629578 0.87 KIF11 (0.44) KIF11CYP11B2KDM4EALDH1A1CYP11B1
SCHEMBL23629599 0.86 KIF11 (0.40) KDM1AKIF11DHODHKDM4EALDH1A1
SCHEMBL23629576 0.86 KIF11 (0.41) KDM1AKIF11DHODHKDM4EALDH1A1
SCHEMBL31273426 0.85 CYP11B2 (0.43) KIF11CYP11B2KDM4EALDH1A1CYP11B1
SCHEMBL31273257 0.84 KIF11 (0.38) KDM1AKIF11DHODHKDM4EALDH1A1
SCHEMBL29419970 0.84 KIF11 (0.38) KIF11DHODHKDM4EALDH1A1NPSR1
SCHEMBL21092975 0.84 KIF11 (0.38) KIF11DHODHKDM4EALDH1A1NPSR1
SCHEMBL21840841 0.84 SERPINE1 (0.37) KDM4EALDH1A1NPSR1GRIA2GRIA4
SCHEMBL23957254 0.84 KIF11 (0.40) KDM1AKIF11DHODHKDM4EALDH1A1
SCHEMBL20278728 0.83 HTR1D (0.37) KIF11DHODHKDM4EALDH1A1NPSR1

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 KDM1A 2392/4885KIF11 3031/4885CYP11B2 2755/4885
US-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME INTS9, GTF2I, BRI3BP KDM1A 2392/4885KIF11 3031/4885CYP11B2 2755/4885

“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.