SCHEMBL161702

SCHEMBL161702

CC(C)CNC(=O)c1nccnc1[O]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MLYCD O95822 1/20 0.44
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
MMP1 P03956 1/20 0.39
MMP8 P22894 1/20 0.39
DYRK1A Q13627 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
NAMPT P43490 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
SCHEMBL14022267 0.81 PRKCI (0.48) KMT2AGAAHSD17B10MLYCDHPGD
SCHEMBL15204761 0.80 KMT2A (0.41) KMT2AGAAKDM4ESCD
SCHEMBL8293285 0.79 KMT2A (0.43) KMT2AGAAHSD17B10MLYCDHPGD
SCHEMBL162453 0.77 POLB (0.43) KMT2AHPGDNPSR1MEN1ALDH1A1
SCHEMBL163224 0.77 SMN1; SMN2 (0.42) MLYCDALDH1A1RAB9ADYRK1ACYP1A2
SCHEMBL27949692 0.76 EGLN2 (0.63) KMT2AGAAHSD17B10MLYCDHPGD
SCHEMBL164226 0.76 POLB (0.50) KMT2AGAAHSD17B10HPGDNPSR1
SCHEMBL165274 0.75 MEN1 (0.46) KMT2AMEN1ALDH1A1RAB9AMMP1
SCHEMBL162819 0.75 KDM4E (0.50) GAAMLYCDHPGDRAB9AKDM4E
SCHEMBL164943 0.74 YTHDC1 (0.37) KMT2AALDH1A1KDM4ESCD

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.