SCHEMBL630787

SCHEMBL630787

COc1cc2cc([N+](=O)[O-])c(OCc3ccccc3)cc2oc1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.51
ACHE P22303 5/20 0.48
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
MAOB P27338 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
BCHE P06276 2/20 0.45
ELANE P08246 1/20 0.45
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL20506914 0.91 ACHE (0.51) ABCB1ACHEHTR1AADRA1DADRA1A
SCHEMBL629617 0.81 MAOB (0.49) ACHEMAOBBCHEELANE
SCHEMBL11232948 0.80 ABCB1 (0.57) ABCB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL4648135 0.77 SLC16A3 (0.66) ACHEMAOBMEN1KMT2A
SCHEMBL31756984 0.76 MEN1 (0.56) ABCB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL10585706 0.76 MEN1 (0.56) ABCB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL20506915 0.76 MCL1 (0.62) ACHEMAOBMAPTALDH1A1
SCHEMBL6820117 0.76 HTR1A (0.51) ABCB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL7116860 0.76 POLB (0.56) ABCB1HTR1AADRA1DADRA1AADRA1B
SCHEMBL10280453 0.75 GPR55 (0.65) ACHEMAOBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC ABCB1 2835/4885ACHE 1237/4885HTR1A 3638/4885

“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.