SCHEMBL13049700

SCHEMBL13049700

O=[N+]([O-])/C=C/c1ccc(-c2oc3ccccc3c2CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 9/20 0.44
▸ EGFR P00533 3/20 0.42
▸ TLR4 O00206 1/20 0.41
▸ TLR2 O60603 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ERBB2 P04626 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39

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
SCHEMBL13049719 0.81 CYP19A1 (0.55) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL13049764 0.80 PTPN1 (0.43) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL2962849 0.75 KMT2A (0.53) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL13049706 0.74 PTPN1 (0.45) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL13080176 0.73 CYP3A4 (0.42) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL13049701 0.73 LMNA (0.57) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL13049703 0.73 PTGS2 (0.59) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL13049766 0.72 MAPT (0.49) MEN1KMT2AALDH1A1SMN1; SMN2CYP19A1
SCHEMBL13049712 0.72 PTGS2 (0.45) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL13049776 0.70 LMNA (0.39) MEN1KMT2AALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7837981-B2 Methods for imaging soluble A-beta GENERAL ELECTRIC COMPANY (US) 2010-11-23 — — US disclosed
US-7837981-B2 Methods for imaging soluble A-beta GENERAL ELECTRIC COMPANY (US) 2010-11-23 — — US disclosed
EP-1631561-B1 COMPOSITIONS AND METHODS FOR NON-INVASIVE IMAGING OF SOLUBLE BETA-AMYLOID GEN ELECTRIC (US) 2010-08-18 — — EP disclosed
US-7727511-B2 Agents for imaging soluble a-beta GENERAL ELECTRIC COMPANY (US) 2010-06-01 — — US disclosed
US-7727511-B2 Agents for imaging soluble a-beta GENERAL ELECTRIC COMPANY (US) 2010-06-01 — — US disclosed
US-20070189967-A1 AGENTS FOR IMAGING SOLUBLE A-BETA GENERAL ELECTRIC COMPANY (US) 2007-08-16 — — US disclosed
US-20070189967-A1 AGENTS FOR IMAGING SOLUBLE A-BETA GENERAL ELECTRIC COMPANY (US) 2007-08-16 — — US disclosed
US-20070140960-A1 METHODS FOR IMAGING SOLUBLE A-BETA GENERAL ELECTRIC COMPANY (US) 2007-06-21 — — US disclosed
US-20070140960-A1 METHODS FOR IMAGING SOLUBLE A-BETA GENERAL ELECTRIC COMPANY (US) 2007-06-21 — — 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-20070140960-A1 METHODS FOR IMAGING SOLUBLE A-BETA APBA1, APP, FABP7 FBP1 3907/4885EGFR 3416/4885TLR4 3585/4885
US-20070189967-A1 AGENTS FOR IMAGING SOLUBLE A-BETA APBA1, APP, FABP7 FBP1 3769/4885EGFR 3176/4885TLR4 3613/4885

“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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