SCHEMBL17435992

SCHEMBL17435992

O=c1cc(CNc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)[nH][nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 9/20 0.45
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PDPK1 O15530 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
HTR2C P28335 1/20 0.34
MAOB P27338 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL2440324 0.84 SOD1 (0.53) SOD1CYP2C19KDM4EGAAMAPT
SCHEMBL19559219 0.76 TAAR1 (0.46) SOD1KDM4EGAAMAPTALDH1A1
SCHEMBL1958364 0.64 RXRA (0.61) TSHRRXRARXRBPGRCHKA
SCHEMBL17435989 0.64 SOD1 (0.47) SOD1CYP2C19PDPK1
SCHEMBL12297417 0.63 SOD1 (1.00) SOD1CYP2C19KDM4EGAAMAPT
SCHEMBL12297536 0.63 SOD1 (0.49) SOD1CYP2C19KDM4EGAAMAPT
SCHEMBL12297510 0.63 SOD1 (0.52) SOD1CYP2C19KDM4EGAAMAPT
SCHEMBL14540067 0.62
SCHEMBL2439299 0.62 SOD1 (1.00) SOD1CYP2C19PDPK1
SCHEMBL11512929 0.61 MEN1 (0.55) CYP2C19MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20160016911-A1 Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, SOD1, NLN SOD1 2/4885CYP2C19 4689/4885KDM4E 2655/4885

“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.