SCHEMBL13049719

SCHEMBL13049719

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.55
▸ CYP11B1 P15538 1/20 0.55
▸ CYP11B2 P19099 1/20 0.55
▸ TNKS O95271 1/20 0.52
▸ PARP1 P09874 1/20 0.52
▸ CSNK2A2 P19784 1/20 0.52
▸ CSNK2B P67870 1/20 0.52
▸ CSNK2A1 P68400 1/20 0.52
▸ TNKS2 Q9H2K2 1/20 0.52
▸ PARP2 Q9UGN5 1/20 0.52
▸ KMT2A Q03164 7/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ MAPT P10636 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ GALK1 P51570 1/20 0.45

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
SCHEMBL13049766 0.85 MAPT (0.49) CYP19A1CYP11B1CYP11B2TNKSPARP1
SCHEMBL13049700 0.81 FBP1 (0.44) CYP19A1CYP11B1CYP11B2KMT2AMEN1
SCHEMBL2962849 0.80 KMT2A (0.53) CYP19A1CYP11B1CYP11B2KMT2AMEN1
SCHEMBL13049706 0.79 PTPN1 (0.45) KMT2AMEN1L3MBTL1KDM4EALDH1A1
SCHEMBL13049701 0.78 LMNA (0.57) TNKSPARP1TNKS2PARP2KMT2A
SCHEMBL13080176 0.78 CYP3A4 (0.42) CYP19A1CYP11B1CYP11B2KMT2AMEN1
SCHEMBL13049703 0.78 PTGS2 (0.59) KMT2AMEN1ALDH1A1LMNAUSP2
SCHEMBL13049761 0.78 ALDH1A1 (0.52) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL13049764 0.77 PTPN1 (0.43) CYP19A1CYP11B1CYP11B2KMT2AMEN1
SCHEMBL13049712 0.77 PTGS2 (0.45) KMT2AMEN1MAPTKDM4EALDH1A1

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 8 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
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 CYP19A1 4722/4885CYP11B1 4219/4885CYP11B2 4332/4885
US-20070189967-A1 AGENTS FOR IMAGING SOLUBLE A-BETA APBA1, APP, FABP7 CYP19A1 4763/4885CYP11B1 4561/4885CYP11B2 4575/4885

“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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