SCHEMBL2442644

SCHEMBL2442644

O=C1COC(=O)/C1=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
ALDH1A1 P00352 4/20 0.48
HTT P42858 4/20 0.48
MAOB P27338 2/20 0.45
CYP1A2 P05177 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
F3 P13726 1/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
APP P05067 1/20 0.39
MIF P14174 1/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38

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
SCHEMBL13355216 1.00 HPGD (0.50) HPGDALDH1A1HTTMAOBCYP1A2
SCHEMBL2442647 1.00 HPGD (0.50) HPGDALDH1A1HTTMAOBCYP1A2
SCHEMBL7008833 0.83 MAPT (0.55) HPGDALDH1A1HTTMAOBKMT2A
SCHEMBL7005335 0.83 MAOB (0.48) HPGDALDH1A1HTTMAOBKDM4E
SCHEMBL7005334 0.79 ALDH1A1 (0.58) HPGDALDH1A1MAOBCYP1A2KMT2A
SCHEMBL7008478 0.79 MAPT (0.53) ALDH1A1HTTMAOBKMT2AMEN1
SCHEMBL10743231 0.76 KDM4E (0.49) ALDH1A1HTTCYP1A2KMT2AMEN1
SCHEMBL10656266 0.76 KDM4E (0.49) ALDH1A1HTTCYP1A2KMT2AMEN1
SCHEMBL9592053 0.76 CISD1 (0.50) ALDH1A1MAOBKMT2AMEN1MAPT
SCHEMBL9193434 0.76 CISD1 (0.50) ALDH1A1MAOBKMT2AMEN1MAPT

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 6 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
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-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

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 HPGD 2450/4885ALDH1A1 1626/4885HTT 5/4885
US-10167263-B2 Treatment of amyotrophic lateral sclerosis SMN1; SMN2, SOD1, NLN HPGD 2450/4885ALDH1A1 1626/4885HTT 5/4885
US-20170349552-A1 Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, SOD1, NLN HPGD 2450/4885ALDH1A1 1626/4885HTT 5/4885

“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.