SCHEMBL22206142

SCHEMBL22206142

O=[N+]([O-])c1cccc(-c2cc(Cc3ccccc3)cc(Cl)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.54
THRB P10828 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CFTR P13569 4/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 1/20 0.47
TOP1 P11387 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
CSNK2A1 P68400 1/20 0.46

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
SCHEMBL29743070 1.00 ALDH1A1 (0.54) ALDH1A1MAPTTHRBTDP1NPC1
SCHEMBL29743063 0.87 PSD (0.52) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL22206163 0.87 PSD (0.52) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL22206168 0.78 ALDH1A1 (0.56) ALDH1A1MAPTTHRBTDP1NPC1
SCHEMBL29838492 0.78 ALDH1A1 (0.56) ALDH1A1MAPTTHRBTDP1NPC1
SCHEMBL29441685 0.77 NPC1 (0.52) ALDH1A1MAPTTHRBTDP1NPC1
SCHEMBL1262545 0.77 NPC1 (0.52) ALDH1A1MAPTTHRBTDP1NPC1
SCHEMBL20908945 0.77 CYP3A4 (0.41) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL22206166 0.77 NPC1 (0.55) ALDH1A1MAPTTHRBTDP1NPC1
SCHEMBL29838394 0.77 NPC1 (0.55) ALDH1A1MAPTTHRBTDP1NPC1

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-111212833-B Phenylpyridine derivatives and pharmaceutical compositions containing the same 株式会社大熊制药 2022-09-06 CN disclosed
EP-3696176-B1 NOVEL PHENYLPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME DAE WOONG PHARMA (KR) 2022-05-04 EP disclosed
US-11149019-B2 Phenylpyridine derivative and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-10-19 US disclosed
US-11149019-B2 Phenylpyridine derivative and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-10-19 US disclosed
EP-3696176-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Daewoong Pharmaceutical Co., Ltd. (KR) 2020-08-19 EP disclosed
US-20200223821-A1 Novel Phenylpyridine Derivative and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2020-07-16 US disclosed
US-20200223821-A1 Novel Phenylpyridine Derivative and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2020-07-16 US disclosed
CN-111212833-A Novel phenylpyridine derivative and pharmaceutical composition comprising same 株式会社大熊制药 2020-05-29 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-20200223821-A1 Novel Phenylpyridine Derivative and Pharmaceutical Composition Comprising the Same PDCD1, PDCD5, PDCD11 ALDH1A1 239/4885MAPT 1659/4885THRB 3946/4885
US-11149019-B2 Phenylpyridine derivative and pharmaceutical composition comprising the same DPYD, PDCD5, PDCD1 ALDH1A1 153/4885MAPT 1895/4885THRB 3594/4885

“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.