SCHEMBL629661

SCHEMBL629661

Nc1cc2ccc(OCc3ccccc3)cc2cc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.65
MAOB P27338 4/20 0.53
RAB9A P51151 3/20 0.53
MAOA P21397 2/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 4/20 0.51
CYP3A4 P08684 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
MTNR1A P48039 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
SCHEMBL629848 1.00 ALOX5 (0.65) ALOX5MAOBRAB9AMAOAMAPT
SCHEMBL30461777 0.90 MAOB (0.53) ALOX5MAOBRAB9AMAOAMAPT
SCHEMBL2992089 0.90 MAOB (0.53) ALOX5MAOBRAB9AMAOAMAPT
SCHEMBL29375277 0.89 ALOX5 (0.55) ALOX5MAOBRAB9AMAOAMAPT
SCHEMBL3002216 0.89 ALOX5 (0.55) ALOX5MAOBRAB9AMAOAMAPT
SCHEMBL22412255 0.85 MAOB (0.50) ALOX5MAOBRAB9AMAOAMAPT
SCHEMBL30461784 0.85 MAOB (0.50) ALOX5MAOBRAB9AMAOAMAPT
SCHEMBL22412158 0.85 MAOB (0.50) ALOX5MAOBRAB9AMAOAMAPT
SCHEMBL30026191 0.85 MAOB (0.50) ALOX5MAOBRAB9AMAOAMAPT
SCHEMBL4053551 0.83 MAOB (0.59) ALOX5MAOBRAB9AMAOAMAPT

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 ALOX5 215/4885MAOB 1091/4885RAB9A 3794/4885

“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.