SCHEMBL3027821

SCHEMBL3027821

O=[N+]([O-])Cc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
IDO1 P14902 3/20 0.46
AGXT P21549 2/20 0.46
FBP1 P09467 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
DAO P14920 3/20 0.44
MGMT P16455 1/20 0.43
MIF P14174 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 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
SCHEMBL9321479 0.85 TSHR (0.45) FBP1ALDH1A1LMNA
SCHEMBL3023794 0.79 IDO1 (0.38) IDO1FBP1DAO
SCHEMBL1015453 0.76 ACHE (0.52) TAAR1IDO1FBP1MAOAMAOB
SCHEMBL361013 0.76 TAAR1 (0.47) TAAR1IDO1AGXTMAOAMAOB
SCHEMBL30485051 0.76 ALDH1A1 (0.52) MAOAMAOBALDH1A1
SCHEMBL3026505 0.76 ALDH1A1 (0.52) TAAR1IDO1AGXTFBP1MAOA
SCHEMBL2677183 0.76 TSHR (0.67) ALDH1A1LMNA
SCHEMBL7494852 0.76 ALDH1A1 (0.52) MAOAMAOBALDH1A1
SCHEMBL11299795 0.76 LOXL2 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL3012993 0.76 TAAR1 (0.51) TAAR1IDO1FBP1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111905825-B Zinc coordination polymer catalytic material and preparation method and application thereof 中原工学院 2023-01-24 CN disclosed
CN-111905825-A Zinc coordination polymer catalytic material and preparation method and application thereof 中原工学院 2020-11-10 CN disclosed
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
EP-2391603-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US disclosed
WO-2010086251-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 WO 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-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C TAAR1 82/4885IDO1 605/4885AGXT 2855/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C TAAR1 82/4885IDO1 605/4885AGXT 2855/4885

“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.