SCHEMBL163050

SCHEMBL163050

CC(C)(C)NC(=O)c1cccnc1[O]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RIPK1 Q13546 1/20 0.44
P2RX7 Q99572 1/20 0.44
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
SYK P43405 2/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 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
SCHEMBL268817 0.83 P2RX7 (0.65) SMN1; SMN2MAPTMEN1KMT2ARIPK1
SCHEMBL13958741 0.81 PRKCI (0.58) SMN1; SMN2MAPTMEN1KMT2ARIPK1
SCHEMBL13701715 0.81 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL29407228 0.81 PRKCI (0.58) SMN1; SMN2MAPTMEN1KMT2ARIPK1
SCHEMBL161745 0.80 GAA (0.48) SMN1; SMN2MAPTMEN1KMT2AP2RX7
SCHEMBL25753495 0.78 NSD2 (0.58) SMN1; SMN2MAPTMEN1KMT2AP2RX7
SCHEMBL6748722 0.77 MAPT (0.61) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL164540 0.76 CHIA (0.56) SMN1; SMN2KMT2ARIPK1P2RX7ADRA1D
SCHEMBL165047 0.76 MAPK8 (0.48) SMN1; SMN2MAPTRIPK1P2RX7ADRA1D
SCHEMBL163192 0.76 POLB (0.42) SMN1; SMN2MAPTMEN1KMT2AKDM4E

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 1/4885MAPT 261/4885MEN1 4776/4885

“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.