SCHEMBL28057460

SCHEMBL28057460

O=[N+]([O-])Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45
IDO1 P14902 4/20 0.44
KIF11 P52732 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
NR1D1 P20393 1/20 0.40
DAO P14920 4/20 0.40
TGM2 P21980 1/20 0.40
SRD5A2 P31213 1/20 0.40

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
SCHEMBL9951459 0.94 KIF11 (0.50) FBP1TAAR1IDO1KIF11MAOB
SCHEMBL9019880 0.84 FBP1 (0.33) FBP1TAAR1IDO1MAOBMAOA
SCHEMBL9322428 0.82 LOXL2 (0.42) IDO1
SCHEMBL148989 0.80 TAAR1 (0.52) FBP1TAAR1IDO1KIF11MAOB
SCHEMBL2454131 0.79 MAPT (0.44) KMT2ADAO
SCHEMBL3012993 0.77 TAAR1 (0.51) FBP1TAAR1IDO1KIF11KMT2A
SCHEMBL6818 0.76 KCNJ1 (0.43) FBP1TAAR1IDO1KMT2AMAOB
SCHEMBL25211439 0.75 DAO (0.44) KMT2ADAO
SCHEMBL28570686 0.75 FBP1 (0.51) FBP1TAAR1IDO1KIF11KMT2A
SCHEMBL5644335 0.72 PLAAT3 (0.48) TAAR1MAOBDAOTGM2SRD5A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105418391-B A kind of preparation method of p-trifluoromethyl benzaldehyde 湖南海利常德农药化工有限公司 2018-07-10 CN claimed
CN-105418391-A Method for preparing p-benzaldehyde HUNAN HAILI CHANGDE PESTICIDE & CHEMICAL IND CO LTD 2016-03-23 CN claimed
US-20250109095-A1 METHOD FOR PREPARING OXIME DERIVATIVE SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2025-04-03 US disclosed
CN-105418391-B A kind of preparation method of p-trifluoromethyl benzaldehyde 湖南海利常德农药化工有限公司 2018-07-10 CN disclosed
CN-105418391-A Method for preparing p-benzaldehyde HUNAN HAILI CHANGDE PESTICIDE & CHEMICAL IND CO LTD 2016-03-23 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 (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-20250109095-A1 METHOD FOR PREPARING OXIME DERIVATIVE NOS2, NOS1, NOS3 FBP1 1500/4885TAAR1 2951/4885IDO1 641/4885

“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.