SCHEMBL23957290

SCHEMBL23957290

CC(C)(C)c1ccc(-c2c(F)c(C#N)c(F)c(-c3ccc(C(C)(C)C)cc3)c2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.52
GRIA4 P48058 12/20 0.49
GRIA2 P42262 7/20 0.49
GRM2 Q14416 1/20 0.39
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
DHODH Q02127 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NRP1 O14786 1/20 0.36

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
SCHEMBL23629590 0.93 KIF11 (0.52) KIF11GRIA4GRIA2GRM2KDM4E
SCHEMBL23957349 0.90 KIF11 (0.49) KIF11GRIA4GRIA2GRM2KDM4E
SCHEMBL21950272 0.81 KIF11 (0.47) KIF11GRIA4GRIA2GRM2KDM4E
SCHEMBL12762364 0.78 KIF11 (0.46) KIF11GRIA4GRIA2KDM4EMAPT
SCHEMBL17711075 0.76 KIF11 (0.53) KIF11GRIA4GRIA2KDM4EMAPT
SCHEMBL23957261 0.75 KDM4E (0.45) GRIA4GRIA2KDM4ENPSR1MAPT
SCHEMBL22036556 0.75 KIF11 (0.35) KIF11GRIA4GRIA2KDM4EMAPT
SCHEMBL23957342 0.75 PTPN1 (0.50) GRIA4GRIA2KDM4ENPSR1MAPT
SCHEMBL21913681 0.75 HSD17B10 (0.47) GRIA4GRIA2KDM4EMAPTDHODH
SCHEMBL30662436 0.74 KIF11 (0.50) KIF11GRIA4GRIA2KDM4ENPSR1

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-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2021-10-28 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-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME INTS9, GTF2I, BRI3BP KIF11 3031/4885GRIA4 665/4885GRIA2 1687/4885

“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.