SCHEMBL1332207

SCHEMBL1332207

O=C(O)COc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
TDP1 Q9NUW8 2/20 0.62
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MAPT P10636 6/20 0.57
TSHR P16473 1/20 0.56
LMNA P02545 3/20 0.56
MAPK1 P28482 2/20 0.56
PTGDR2 Q9Y5Y4 5/20 0.55
HPGD P15428 2/20 0.55
TP53 P04637 1/20 0.55
PTGDR Q13258 4/20 0.55
HTT P42858 1/20 0.55
FAAH O00519 1/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54

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
SCHEMBL9722784 0.88 KDM4E (0.64) KDM4EKMT2AMEN1TDP1ALDH1A1
SCHEMBL11380305 0.87 KDM4E (0.63) KDM4EKMT2AMEN1TDP1ALDH1A1
SCHEMBL11380309 0.87 KDM4E (0.63) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6327826 0.85 ALDH1A1 (0.71) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10788762 0.83 MEN1 (0.66) KDM4EKMT2AMEN1TDP1ALDH1A1
SCHEMBL27634048 0.82 S1PR4 (0.56) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL27634054 0.82 S1PR4 (0.56) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10508964 0.82 MEN1 (0.64) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL4186418 0.82 MEN1 (0.64) KDM4EKMT2AMEN1TDP1ALDH1A1
SCHEMBL2599653 0.82 MEN1 (0.64) KDM4EKMT2AMEN1ALDH1A1MAPT

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
US-8394986-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (GB) 2013-03-12 US disclosed
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB 2011-11-17 US disclosed
US-8003703-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
US-20060293352-A1 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2006-12-28 US disclosed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP disclosed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 WO disclosed
US-4252952-A 7-(α-Substituted glycinamido)-3-substituted methyl-3-cephem-4-carboxylic acids and their derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-02-24 US disclosed
US-4178445-A 7-(α-Substituted glycinamido)-3-substituted methyl-3-cephem-4-carboxylic acids and their derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-12-11 US disclosed
US-4039536-A 7-(α-SUBSTITUTED GLYCINAMIDO)-3-SUBSTITUTED METHYL-3-CEPHEM-4-CARBOXYLIC ACIDS AND THEIR DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-08-02 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 (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-20060293352-A1 Phenoxiacetic acid derivatives HRH2, HRH1, HCAR2 KDM4E 1701/4885KMT2A 647/4885MEN1 3996/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN KDM4E 608/4885KMT2A 607/4885MEN1 3563/4885

“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.