SCHEMBL7564358

SCHEMBL7564358

O=C1CC(=O)CC(c2ccncc2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
GAA P10253 4/20 0.63
CYP19A1 P11511 2/20 0.51
TP53 P04637 3/20 0.41
KMT2A Q03164 3/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK10 P53779 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 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
SCHEMBL10672428 0.84 MAPT (0.77) MAPTGAATP53KMT2ARECQL
SCHEMBL24924065 0.79 PDE3B (0.46) MAPTGAACYP19A1TP53NPC1
SCHEMBL562614 0.77 MAPT (1.00) MAPTGAATP53KMT2ARECQL
SCHEMBL18705865 0.76 ESR2 (0.46) MAPTGAACYP19A1TP53NPC1
SCHEMBL25344786 0.76 ESR2 (0.46) MAPTGAACYP19A1TP53NPC1
SCHEMBL13453993 0.76 MAPT (0.60) MAPTGAAKMT2ATDP1NPSR1
SCHEMBL1780602 0.74 MAPT (0.63) MAPTGAATP53KMT2ARECQL
SCHEMBL785036 0.74 ESR2 (0.59) MAPTCYP19A1TP53NPC1RAB9A
SCHEMBL1779753 0.74 MAPT (0.63) MAPTGAATP53KMT2ARECQL
SCHEMBL11821558 0.74 MAPT (0.63) MAPTGAATP53KMT2ARECQL

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-9593069-B2 Cyclohexane-1,3-diones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2017-03-14 US disclosed
US-9593069-B2 Cyclohexane-1,3-diones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2017-03-14 US disclosed
US-20160039740-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis CAMBRIA PHARMACEUTICALS DISTRIBUTING TRUST 2016-02-11 US disclosed
US-9162968-B2 Cyclohexane-1,3-diones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2015-10-20 US disclosed
US-20140371313-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis CAMBRIA PHARMACEUTICALS DISTRIBUTING TRUST 2014-12-18 US disclosed
US-8722939-B2 Cyclohexane-1,3-diones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2014-05-13 US disclosed
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis CAMBRIA PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
EP-1229019-A1 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC ENAMINONE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP 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-20140371313-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B MAPT 259/4885GAA 48/4885CYP19A1 1411/4885
US-20160039740-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B MAPT 259/4885GAA 48/4885CYP19A1 1411/4885
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B MAPT 259/4885GAA 48/4885CYP19A1 1411/4885

“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.