SCHEMBL160378

SCHEMBL160378

CC(C)CNC(=O)c1cc([O])c2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
GAA P10253 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.48
MAOB P27338 1/20 0.47
KDM4E B2RXH2 3/20 0.45
MLYCD O95822 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HDAC4 P56524 1/20 0.41
BRD4 O60885 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
RAB9A P51151 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
SCHEMBL162512 0.89 KMT2A (0.54) KMT2AGAAHSD17B10MEN1SMN1; SMN2
SCHEMBL163280 0.87 KMT2A (0.51) KMT2AGAAHSD17B10MEN1SMN1; SMN2
SCHEMBL160379 0.86 KMT2A (0.56) KMT2AGAAHSD17B10MEN1SMN1; SMN2
SCHEMBL162794 0.84 BRD4 (0.45) HPGDKDM4EALDH1A1MAPTHDAC4
SCHEMBL161737 0.81 ALDH1A1 (0.56) KMT2AGAAMEN1SMN1; SMN2HPGD
SCHEMBL160992 0.81 NCEH1 (0.46) KMT2AMEN1SMN1; SMN2HPGDMAOB
SCHEMBL16866256 0.79 GAA (0.68) KMT2AGAAHSD17B10SMN1; SMN2HPGD
SCHEMBL162958 0.79 SMN1; SMN2 (0.57) SMN1; SMN2HPGDKDM4EALDH1A1HTT
SCHEMBL15204549 0.79 ALDH1A1 (0.54) KMT2AGAAHSD17B10MEN1HPGD
SCHEMBL160411 0.79 PLK1 (0.50) HPGDKDM4EALDH1A1MAPTBRD4

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.