SCHEMBL23629577

SCHEMBL23629577

Fc1c(F)c(Br)c(F)c(-c2ccccc2)c1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
TYMP P19971 2/20 0.34
GRM5 P41594 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DHODH Q02127 5/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DHFR P00374 4/20 0.33
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31

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
SCHEMBL15987215 0.95 ALDH1A1 (0.40) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL24623524 0.86 ALDH1A1 (0.40) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL247368 0.85 LMNA (0.48) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL7704707 0.83 LMNA (0.46) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL7711087 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL23645635 0.81 ALDH1A1 (0.33) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL24060225 0.81 ALDH1A1 (0.33) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL31305580 0.80 LMNA (0.43) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL7713106 0.80 LMNA (0.48) ALDH1A1MAPK1MAPTLMNAHTT
SCHEMBL14182621 0.80 LMNA (0.48) ALDH1A1MAPK1MAPTLMNAHTT

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
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 (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 ALDH1A1 666/4885MAPK1 3294/4885MAPT 1916/4885
US-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME INTS9, GTF2I, BRI3BP ALDH1A1 666/4885MAPK1 3294/4885MAPT 1916/4885

“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.