SCHEMBL22206166

SCHEMBL22206166

O=[N+]([O-])c1cccc(-c2cccc(Cl)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
IDO1 P14902 1/20 0.54
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
MAPT P10636 5/20 0.51
KEAP1 Q14145 3/20 0.51
NFE2L2 Q16236 3/20 0.51
THRB P10828 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
PLK1 P53350 1/20 0.51
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL29838394 1.00 NPC1 (0.55) NPC1RAB9AIDO1ALDH1A1TDP1
SCHEMBL27559366 0.83 NPC1 (0.58) NPC1RAB9AIDO1ALDH1A1TDP1
SCHEMBL28424865 0.83 NPC1 (0.55) NPC1RAB9AIDO1ALDH1A1TDP1
SCHEMBL22206168 0.82 ALDH1A1 (0.56) NPC1RAB9AIDO1ALDH1A1TDP1
SCHEMBL29838492 0.82 ALDH1A1 (0.56) NPC1RAB9AIDO1ALDH1A1TDP1
SCHEMBL1467651 0.82 PLK1 (0.56) NPC1RAB9AIDO1ALDH1A1TDP1
SCHEMBL1262545 0.81 NPC1 (0.52) NPC1RAB9AIDO1ALDH1A1TDP1
SCHEMBL29441685 0.81 NPC1 (0.52) NPC1RAB9AIDO1ALDH1A1TDP1
SCHEMBL10373733 0.81 ALDH1A1 (0.58) NPC1RAB9AIDO1ALDH1A1TDP1
SCHEMBL824005 0.80 PLK1 (0.61) NPC1RAB9AIDO1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4486336-A2 CB1 LIGAND CONJUGATED COMPOUNDS AND USES THEREOF Adarx Pharmaceuticals, Inc. (US) 2025-01-08 EP disclosed
WO-2023168296-A2 CB1 LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2023-09-07 WO disclosed
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 NPC1 2103/4885RAB9A 1997/4885IDO1 178/4885
US-11149019-B2 Phenylpyridine derivative and pharmaceutical composition comprising the same DPYD, PDCD5, PDCD1 NPC1 2439/4885RAB9A 2280/4885IDO1 163/4885

“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.