SCHEMBL12297928

SCHEMBL12297928

O=c1cc(COc2cccc(Br)c2)[nH][nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 11/20 1.00
MAOB P27338 6/20 0.54
CYP2C19 P33261 1/20 0.54
DAO P14920 2/20 0.50
PARP15 Q460N3 1/20 0.48
PARP10 Q53GL7 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
SCHEMBL12297919 0.83 SOD1 (1.00) SOD1CYP2C19DAOPARP15PARP10
SCHEMBL19559177 0.82 SOD1 (0.77) SOD1CYP2C19DAO
SCHEMBL12297769 0.80 SOD1 (1.00) SOD1CYP2C19DAO
SCHEMBL12297884 0.79 SOD1 (1.00) SOD1CYP2C19DAO
SCHEMBL12297886 0.78 SOD1 (1.00) SOD1CYP2C19DAO
SCHEMBL12297901 0.73 SOD1 (0.71) SOD1MAOBCYP2C19DAO
SCHEMBL12297784 0.73 SOD1 (0.71) SOD1CYP2C19DAO
SCHEMBL12297382 0.72 SOD1 (1.00) SOD1CYP2C19DAO
SCHEMBL12297771 0.72 SOD1 (1.00) SOD1CYP2C19DAO
SCHEMBL4404036 0.71 MAOB (1.00) MAOBPARP15PARP10

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 2/4885MAOB 648/4885CYP2C19 4689/4885
US-10167263-B2 Treatment of amyotrophic lateral sclerosis SMN1; SMN2, SOD1, NLN SOD1 2/4885MAOB 648/4885CYP2C19 4689/4885
US-20170349552-A1 Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, SOD1, NLN SOD1 2/4885MAOB 648/4885CYP2C19 4689/4885

“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.