SCHEMBL160431

SCHEMBL160431

CC(C)CNC(=O)c1cc([O])[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
HPGD P15428 4/20 0.48
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALPL P05186 2/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
DYRK1A Q13627 4/20 0.41
GSK3B P49841 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL162816 0.81 HDAC3 (0.43) ALPLALDH1A1POLBHDAC3HDAC4
SCHEMBL162591 0.79 HDAC3 (0.48) RAB9AHPGDGAANPC1SMN1; SMN2
SCHEMBL164014 0.78 ADORA3 (0.45) RAB9AHPGDALPLNPC1SMN1; SMN2
SCHEMBL163054 0.76 KMT2A (0.47) RAB9AKMT2AHSD17B10NPC1SMN1; SMN2
SCHEMBL162312 0.76 HDAC3 (0.52) RAB9AHPGDKMT2ANPC1SMN1; SMN2
SCHEMBL164683 0.75 BAZ2B (0.42) RAB9AHPGDGAAHSD17B10ALPL
SCHEMBL5768783 0.72 KMT2A (0.47) RAB9AHPGDGAAKMT2AHSD17B10
SCHEMBL159824 0.72 RAB9A (0.64) RAB9AHPGDGAAKMT2AHSD17B10
SCHEMBL160116 0.71 KMT2A (0.42) RAB9AHPGDGAAKMT2AHSD17B10
SCHEMBL163888 0.71 TSHR (0.45) RAB9AGAAKMT2ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 RAB9A 3460/4885HPGD 2718/4885GAA 131/4885

“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.