SCHEMBL17102604

SCHEMBL17102604

CN(Cc1cc(=O)n(C)[nH]1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 2/20 0.36

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
SCHEMBL17102568 0.77 CXCR2 (0.39) ALDH1A1MAPTKMT2AL3MBTL1TAAR1
SCHEMBL17102597 0.76 TAAR1 (0.31) TAAR1
SCHEMBL17102628 0.73 SOD1 (0.50) KDM4EALDH1A1GAAMAPTTHRB
SCHEMBL17102580 0.72 TACR1 (0.32)
SCHEMBL12297385 0.71 SOD1 (0.54) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL12297426 0.71 KMT2A (0.76) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL12297514 0.71 ALDH1A1 (0.48) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL17102584 0.67 BCHE (0.32)
SCHEMBL17102687 0.66
SCHEMBL761767 0.65 MEN1 (0.41) KDM4EMEN1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349552-A1 Treatment of Amyotrophic Lateral Sclerosis NORTHWESTERN UNIVERSITY (US) 2017-12-07 US 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-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-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-9145424-B2 Treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2015-09-29 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 (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-20160016911-A1 Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, SOD1, NLN KDM4E 2655/4885MEN1 4639/4885ALDH1A1 1626/4885
US-20170349552-A1 Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, SOD1, NLN KDM4E 2655/4885MEN1 4639/4885ALDH1A1 1626/4885

“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.