SCHEMBL12297785

SCHEMBL12297785

O=c1cc(COc2cc(C3CC3)cc(C3CC3)c2)[nH][nH]1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 12/20 0.59
CYP2C19 P33261 1/20 0.59
DAO P14920 4/20 0.40
PDPK1 O15530 1/20 0.39
MAPT P10636 2/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL12297784 0.92 SOD1 (0.71) SOD1CYP2C19DAOPDPK1MAPT
SCHEMBL12297919 0.75 SOD1 (1.00) SOD1CYP2C19DAOPDPK1MAPT
SCHEMBL2439299 0.75 SOD1 (1.00) SOD1CYP2C19DAOPDPK1
SCHEMBL19559177 0.73 SOD1 (0.77) SOD1CYP2C19DAOPDPK1
SCHEMBL12329102 0.71 SOD1 (1.00) SOD1CYP2C19DAOPDPK1
SCHEMBL12297382 0.70 SOD1 (1.00) SOD1CYP2C19DAOMAPTGAA
SCHEMBL12297771 0.70 SOD1 (1.00) SOD1CYP2C19DAOMAPTGAA
SCHEMBL12297888 0.68 SOD1 (1.00) SOD1CYP2C19DAOHSP90AA1KMT2A
SCHEMBL19559198 0.67 SOD1 (0.72) SOD1CYP2C19DAO
SCHEMBL12297928 0.67 SOD1 (1.00) SOD1CYP2C19DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167263-B2 Treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2019-01-01 US disclosed
EP-2367798-B1 PYRAZOLONE DERIVATIVES USEFUL IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV NORTHWESTERN (US) 2018-02-28 EP disclosed
US-20170349552-A1 Treatment of Amyotrophic Lateral Sclerosis NORTHWESTERN UNIVERSITY (US) 2017-12-07 US disclosed
US-9809556-B2 Treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2017-11-07 US disclosed
US-20160016911-A1 Treatment of Amyotrophic Lateral Sclerosis NORTHWESTERN UNIVERSITY 2016-01-21 US disclosed
US-20160016911-A1 Treatment of Amyotrophic Lateral Sclerosis NORTHWESTERN UNIVERSITY 2016-01-21 US disclosed
US-9145424-B2 Treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2015-09-29 US disclosed
US-9145424-B2 Treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2015-09-29 US disclosed
US-20110237907-A1 TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS, INC. (US) 2011-09-29 US disclosed
US-20110237907-A1 TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS, INC. (US) 2011-09-29 US disclosed
WO-2010059241-A2 TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS, INC. (US) 2010-05-27 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 (3 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-20160016911-A1 Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, SOD1, NLN SOD1 2/4885CYP2C19 4689/4885DAO 2548/4885
US-10167263-B2 Treatment of amyotrophic lateral sclerosis SMN1; SMN2, SOD1, NLN SOD1 2/4885CYP2C19 4689/4885DAO 2548/4885
US-20170349552-A1 Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, SOD1, NLN SOD1 2/4885CYP2C19 4689/4885DAO 2548/4885

“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.