SCHEMBL2809633

SCHEMBL2809633

COC(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
MAPT P10636 4/20 0.51
POLB P06746 2/20 0.51
VCAM1 P19320 2/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RAF1 P04049 1/20 0.46
HPGD P15428 1/20 0.46
GFER P55789 1/20 0.46
PAX8 Q06710 1/20 0.46
HTT P42858 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CMA1 P23946 1/20 0.43
TPMT P51580 1/20 0.43

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
SCHEMBL989006 0.89 VCAM1 (0.56) LMNAMAPTPOLBVCAM1KDM4E
SCHEMBL22081923 0.86 MAPT (0.52) LMNAMAPTPOLBVCAM1KDM4E
SCHEMBL30159180 0.86 MAPT (0.52) LMNAMAPTPOLBVCAM1KDM4E
SCHEMBL752806 0.84 GPR35 (0.54) LMNAMAPTPOLBVCAM1KDM4E
SCHEMBL29621637 0.84 GPR35 (0.54) LMNAMAPTPOLBVCAM1KDM4E
SCHEMBL2903036 0.84 MAPT (0.51) LMNAMAPTPOLBVCAM1KDM4E
SCHEMBL15432231 0.84 VCAM1 (0.52) LMNAMAPTPOLBVCAM1KDM4E
SCHEMBL31161317 0.84 VCAM1 (0.52) LMNAMAPTPOLBVCAM1KDM4E
SCHEMBL645817 0.83 VCAM1 (0.55) LMNAMAPTPOLBVCAM1KDM4E
SCHEMBL1759189 0.83 MAPT (0.50) LMNAMAPTPOLBVCAM1KDM4E

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
CN-113004252-B Aryl imidazole derivative and application thereof 江苏先声药业有限公司 2023-06-09 CN disclosed
CN-113004252-A Aryl imidazole derivative and application thereof 江苏先声药业有限公司 2021-06-22 CN disclosed
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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 (3 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 LMNA 1966/4885MAPT 2380/4885POLB 2893/4885
US-20100298324-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 LMNA 3880/4885MAPT 4643/4885POLB 1480/4885
US-20150299188-A1 HETEROCYCLIC COMPOUND PTGIS, LIPG, FEN1 LMNA 1646/4885MAPT 4856/4885POLB 1221/4885

“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.