SCHEMBL27200599

SCHEMBL27200599

CN(c1ccc2cc([N+](=O)[O-])ccc2n1)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.44
KMT2A Q03164 2/20 0.41
OPRK1 P41145 1/20 0.41
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
TTR P02766 1/20 0.39

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
SCHEMBL27200607 0.85 NPC1 (0.39) KMT2AOPRK1MAPTHTTRXFP1
SCHEMBL6605377 0.79 ALDH1A1 (0.48) KMT2AMAPTHTTRXFP1ALDH1A1
SCHEMBL22926818 0.78 KDM4E (0.44) KMT2AMAPTHTTALDH1A1MEN1
SCHEMBL22927056 0.76 ALDH1A1 (0.41) KMT2AMAPTHTTRXFP1ALDH1A1
SCHEMBL23702621 0.76 KMT2A (0.50) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL4470507 0.75 ALDH1A1 (0.45) KMT2AMAPTHTTRXFP1ALDH1A1
SCHEMBL30111820 0.73 KMT2A (0.47) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL5909894 0.73 MAPT (0.46) MAPTHTTRXFP1ALDH1A1SMN1; SMN2
SCHEMBL4033934 0.71 PDE7A (0.51) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL516896 0.71 ALDH1A1 (0.51) NPBWR1KMT2AOPRK1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4003976-B1 PICOLINAMIDE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES GLOBACHEM NV (BE) 2024-04-24 EP disclosed
US-20220256855-A1 PICOLINAMIDE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES GLOBACHEM NV (BE) 2022-08-18 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-20220256855-A1 PICOLINAMIDE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES FKBP2, FKBP14, FKBP1A NPBWR1 2486/4885KMT2A 3034/4885OPRK1 4879/4885

“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.