SCHEMBL23629573

SCHEMBL23629573

COc1ccc(-c2c(F)c(F)c(C#N)c(F)c2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.50
ADORA1 P30542 3/20 0.49
SQOR Q9Y6N5 1/20 0.48
NPSR1 Q6W5P4 6/20 0.47
KDM4E B2RXH2 5/20 0.47
RXFP1 Q9HBX9 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
CUL4A Q13619 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
MAPK10 P53779 1/20 0.45
ADORA2A P29274 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 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
SCHEMBL23957267 0.93 PTPN1 (0.48) PTPN1ADORA1SQORNPSR1KDM4E
SCHEMBL23957342 0.93 PTPN1 (0.50) PTPN1ADORA1SQORNPSR1KDM4E
SCHEMBL4153688 0.82 CA1 (0.52) SMN1; SMN2
SCHEMBL17711173 0.77 KIF11 (0.44) KDM4EALDH1A1FNTAFNTBGRIA2
SCHEMBL14334683 0.77 SQOR (0.53) ADORA1SQORNPSR1KDM4ERXFP1
SCHEMBL23629582 0.76 CA1 (0.43) PTPN1KDM4EMEN1KMT2AALDH1A1
SCHEMBL23045910 0.76 IDO1 (0.42) ADORA1NPSR1KDM4EMEN1KMT2A
SCHEMBL23629580 0.75 KDM4E (0.45) PTPN1NPSR1KDM4ERXFP1MEN1
SCHEMBL9405472 0.75 SQOR (0.51) PTPN1ADORA1SQORNPSR1KDM4E
SCHEMBL23629590 0.75 KIF11 (0.52) NPSR1KDM4EALDH1A1MAPTGRIA2

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 PTPN1 4473/4885ADORA1 4272/4885SQOR 1076/4885
US-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME INTS9, GTF2I, BRI3BP PTPN1 4473/4885ADORA1 4272/4885SQOR 1076/4885

“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.