SCHEMBL163955

SCHEMBL163955

CC(C)CNC(=O)c1cc([O])c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 4/20 0.43
ALPL P05186 2/20 0.42
KDM4E B2RXH2 2/20 0.40
MLYCD O95822 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.38
CYP2D6 P10635 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
SCHEMBL163704 0.81 BRD4 (0.44) GAAKMT2AALDH1A1KDM4E
SCHEMBL160110 0.78 PKM (0.52) GAAKMT2AALDH1A1KDM4EHTT
SCHEMBL161465 0.77 ADORA3 (0.43) GAAALDH1A1ALPLKDM4EMLYCD
SCHEMBL163140 0.75 MEN1 (0.44) GAAKMT2AALDH1A1HPGDKDM4E
SCHEMBL162430 0.75 DRD2 (0.50) KMT2AALDH1A1KDM4EHTTTSHR
SCHEMBL164296 0.74 CREBBP (0.63) GAAKMT2AALDH1A1KDM4EHTT
SCHEMBL13840109 0.71 KDM4E (0.56) HSD17B10GAAKMT2AKDM4ELMNA
SCHEMBL163634 0.70 CREBBP (0.41) GAAALDH1A1HPGDALPLKDM4E
SCHEMBL2908793 0.70 HSD17B10 (0.78) HSD17B10GAAKMT2AALDH1A1HPGD
SCHEMBL162809 0.70 ALDH1A1 (0.48) ALDH1A1KDM4ETSHR

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

“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.