SCHEMBL165034

SCHEMBL165034

CC(C)CNC(=O)c1nc([O])c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
MAOB P27338 1/20 0.39
HPGD P15428 3/20 0.39
MLYCD O95822 1/20 0.39
RAB9A P51151 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
MMP1 P03956 1/20 0.37
MMP8 P22894 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 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
SCHEMBL163004 0.84 KMT2A (0.42) KMT2AGAAHSD17B10SMN1; SMN2MEN1
SCHEMBL159511 0.81 PIN1 (0.36) KMT2AHSD17B10HPGDNPSR1MMP1
SCHEMBL165962 0.79 POLB (0.41) KMT2AGAAHPGDALDH1A1NPSR1
SCHEMBL164028 0.76 TSHR (0.46) SMN1; SMN2HPGDRAB9AKDM4EHTT
SCHEMBL161197 0.76 JAK2 (0.43) KMT2ASMN1; SMN2MEN1RAB9AALDH1A1
SCHEMBL163549 0.74 RAB9A (0.44) KMT2AGAAHSD17B10SMN1; SMN2MEN1
SCHEMBL11252147 0.72 PRMT5 (0.47) KMT2AGAAHSD17B10SMN1; SMN2MEN1
SCHEMBL163003 0.71 SYK (0.36) MAOBALDH1A1LMNA
SCHEMBL1078869 0.70 HPGD (0.41) KMT2AGAAHSD17B10SMN1; SMN2MEN1
SCHEMBL163955 0.69 HSD17B10 (0.47) KMT2AGAAHSD17B10HPGDMLYCD

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 KMT2A 2544/4885GAA 131/4885HSD17B10 3364/4885

“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.