SCHEMBL980456

SCHEMBL980456

Nc1cccc(-c2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.69
MAOB P27338 1/20 0.68
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MITF O75030 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
GFER P55789 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NLRP1 Q9C000 1/20 0.53
NOD2 Q9HC29 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
NLRP3 Q96P20 1/20 0.52
TNK2 Q07912 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL1271679 0.94 MAOA (0.64) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL4261949 0.92 MAOB (0.81) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL29454304 0.92 MAOB (0.81) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL3803204 0.90 MAOB (0.77) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL11344630 0.90 ALDH1A1 (0.61) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL3610637 0.89 MAOB (0.68) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL30421408 0.89 MAOB (0.68) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL5744229 0.89 MAOB (0.68) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL30392583 0.89 MAOB (0.68) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL203512 0.86 MAOB (0.76) MAOAMAOBMEN1KMT2AALDH1A1

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-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-1583744-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-10-12 EP disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 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 (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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAOA 348/4885MAOB 101/4885MEN1 174/4885
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 MAOA 2101/4885MAOB 3235/4885MEN1 1916/4885

“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.