SCHEMBL730927

SCHEMBL730927

CCOC(=O)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 3/20 0.59
▸ ALDH1A1 P00352 5/20 0.54
▸ LMNA P02545 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ RAF1 P04049 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ PAX8 Q06710 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ THRB P10828 1/20 0.51
▸ BRAF P15056 1/20 0.49
▸ HTT P42858 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MITF O75030 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ F2 P00734 1/20 0.49
▸ PKM P14618 1/20 0.48

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
SCHEMBL260606 0.86 KMT2A (0.64) VCAM1ALDH1A1LMNAMAPTMAPK1
SCHEMBL16063547 0.83 ITGB1 (0.48) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL4413302 0.83 VCAM1 (0.58) VCAM1ALDH1A1LMNAMAPTMAPK1
SCHEMBL11245000 0.82 PDK1 (0.59) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL5423626 0.82 VCAM1 (0.56) VCAM1ALDH1A1LMNAMAPTMAPK1
SCHEMBL6284647 0.81 LMNA (0.58) VCAM1ALDH1A1LMNAMAPTMAPK1
4-Chloro-3-Nitrobenzoic Acid SCHEMBL7843735 0.81 KMT2A (0.58) VCAM1ALDH1A1LMNAMAPTMAPK1
SCHEMBL11237053 0.81 USP10 (0.46) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL2643972 0.81 TSHR (0.50) ALDH1A1LMNAMAPTMAPK1HPGD
SCHEMBL13278216 0.80 VCAM1 (0.51) VCAM1ALDH1A1LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138335-B2 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD (JP) 2012-03-20 — — US disclosed
US-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-04 — — US disclosed
CN-1306523-A Substituted 6-aryl-3-thioxo-5-(thi) oxo-2,3,4,5-tetrahydro-1,2,4-triazines BASF AG (DE) 2001-08-01 — — 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 (1 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-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT GPR17, CYSLTR1, KIT VCAM1 94/4885ALDH1A1 368/4885LMNA 4266/4885

“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.

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