SCHEMBL7568818

SCHEMBL7568818

O=C1CC(=O)CC(c2ccccn2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.46
RECQL P46063 1/20 0.46
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GFER P55789 1/20 0.40
GSK3B P49841 1/20 0.39
HTT P42858 2/20 0.38
LDHA P00338 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 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
SCHEMBL445499 0.92 MAPT (0.50) MAPTGAAKMT2ANPC1ALDH1A1
SCHEMBL1721248 0.81 DDB1 (0.47) MAPTGAAKMT2ANPC1ALDH1A1
SCHEMBL6569434 0.79 CRBN (0.53) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL3261840 0.79 DDB1 (0.45) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL30350523 0.79 DDB1 (0.45) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL3438252 0.77 DDB1 (0.50) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL29507610 0.76 ALDH1A1 (0.46) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL29507622 0.76 ALDH1A1 (0.46) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL29507590 0.76 ALDH1A1 (0.46) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL10739785 0.75 MAPT (0.48) MAPTGAAKMT2ATP53RECQL

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 13 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
EP-0104876-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-12-27 EP disclosed
US-4631081-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1986-12-23 US disclosed
EP-0104876-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-04-04 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 48/4885KMT2A 2455/4885
US-20160039740-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B MAPT 259/4885GAA 48/4885KMT2A 2455/4885
US-20120264765-A1 Cyclohexane-1,3-Diones for Use in the Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, HTT, CPT1B MAPT 259/4885GAA 48/4885KMT2A 2455/4885

“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.