SCHEMBL163224

SCHEMBL163224

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MLYCD O95822 1/20 0.40
CHRM2 P08172 1/20 0.38
GRM5 P41594 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
FDPS P14324 1/20 0.38
XDH P47989 1/20 0.36
CNR1 P21554 1/20 0.36
KDM5A P29375 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
RIPK1 Q13546 1/20 0.35
LMNA P02545 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL13544851 0.82 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2KDM4EMLYCDCHRM2
SCHEMBL165274 0.82 MEN1 (0.46) SMN1; SMN2CYP1A2TSHRNPC1ALDH1A1
SCHEMBL13544584 0.81 KDM4E (0.51) SMN1; SMN2CYP1A2KDM4EMLYCDCHRM2
SCHEMBL164943 0.78 YTHDC1 (0.37) KDM4ETSHRALDH1A1MAPT
SCHEMBL161702 0.77 KMT2A (0.45) SMN1; SMN2CYP1A2KDM4EMLYCDALDH1A1
SCHEMBL12043744 0.77 SMN1; SMN2 (0.42) SMN1; SMN2CYP1A2KDM4EMLYCDCHRM2
SCHEMBL24571662 0.74 CTSA (0.49) SMN1; SMN2CYP1A2KDM4EGRM5FDPS
SCHEMBL162243 0.74 L3MBTL1 (0.53) SMN1; SMN2KDM4ETSHRALDH1A1MAPT
SCHEMBL15204761 0.73 KMT2A (0.41) KDM4ECNR1KDM5ARIPK1LMNA
SCHEMBL164726 0.73 ALDH1A1 (0.41) SMN1; SMN2KDM4ECASP1NPC1ALDH1A1

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 SMN1; SMN2 1/4885CYP1A2 4010/4885KDM4E 2214/4885

“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.