SCHEMBL21499883

SCHEMBL21499883

Cc1cccc(Nc2nc3nonc3nc2O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
MAPT P10636 5/20 0.46
TP53 P04637 5/20 0.46
CCR2 P41597 1/20 0.46
CCR5 P51681 1/20 0.46
GAA P10253 2/20 0.46
RECQL P46063 1/20 0.46
POLB P06746 1/20 0.44
AURKA O14965 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NFKB1 P19838 1/20 0.43
HTT P42858 2/20 0.42
GRM4 Q14833 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL30754751 0.90 SMN1; SMN2 (0.55) SMN1; SMN2MAPTTP53CCR2CCR5
SCHEMBL3051395 0.90 SMN1; SMN2 (0.55) SMN1; SMN2MAPTTP53CCR2CCR5
SCHEMBL21499955 0.85 GAA (0.47) SMN1; SMN2MAPTTP53CCR2CCR5
SCHEMBL12344230 0.85 SMN1; SMN2 (0.48) SMN1; SMN2MAPTTP53CCR2CCR5
SCHEMBL15614698 0.84 GAA (0.61) SMN1; SMN2MAPTTP53CCR2CCR5
SCHEMBL21497111 0.83 TP53 (0.54) SMN1; SMN2MAPTTP53CCR2CCR5
SCHEMBL21499880 0.83 TP53 (0.45) SMN1; SMN2MAPTTP53CCR2CCR5
SCHEMBL12340054 0.83 SMN1; SMN2 (0.52) SMN1; SMN2MAPTTP53CCR2CCR5
SCHEMBL26034844 0.83 TP53 (0.53) SMN1; SMN2MAPTTP53CCR2CCR5
SCHEMBL21500006 0.82 TP53 (0.54) SMN1; SMN2MAPTTP53CCR2CCR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023159248-A1 RE-SENSITIZING MULTIDRUG-RESISTANT (MDR) GRAM-NEGATIVE BACTERIA TO COLISTIN USING IONOPHORES THE REGENTS OF THE UNIVERSITY OF COLORADO A BODY CORPORATE (US) 2023-08-24 WO disclosed
US-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2021-08-19 US disclosed
WO-2019204813-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 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-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS NDUFAF1, OXA1L, GLS2 SMN1; SMN2 323/4885MAPT 4454/4885TP53 2822/4885

“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.