SCHEMBL948375

SCHEMBL948375

COC(=O)C(C)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.43
G6PD P11413 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL7684242 0.87 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPK1TSHRTDP1
SCHEMBL10779684 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TSHRPKMMEN1
SCHEMBL10651799 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1TSHRTDP1
SCHEMBL9975392 0.82 ALDH1A1 (0.47) ALDH1A1MAPK1MEN1LMNAKMT2A
SCHEMBL16419126 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRPKMMEN1
SCHEMBL4850984 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1TSHRTDP1
SCHEMBL4308070 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1TSHRTDP1
SCHEMBL10776686 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TDP1PKMKMT2A
SCHEMBL8102532 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPK1TSHRTDP1
SCHEMBL12418984 0.79 TSHR (0.51) ALDH1A1SMN1; SMN2MAPK1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
US-4710581-A Nucleophilic substitution process ETHYL CORPORATION (US) 1987-12-01 US disclosed
US-4581463-A Nucleophilic substitution process combined with additional reaction steps ETHYL CORPORATION (US) 1986-04-08 US disclosed
EP-0077662-B1 PREPARATION OF NITROARYLACETIC ACID ESTERS AND DERIVATIVES THEREOF ETHYL CORPORATION (US) 1985-10-02 EP disclosed
EP-0077662-A1 Preparation of nitroarylacetic acid esters and derivatives thereof ETHYL CORPORATION (US) 1983-04-27 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 (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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 ALDH1A1 2246/4885SMN1; SMN2 3368/4885MAPK1 1855/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 ALDH1A1 2316/4885SMN1; SMN2 3635/4885MAPK1 1718/4885

“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.