SCHEMBL21497112

SCHEMBL21497112

Oc1nc2nonc2nc1Nc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
TP53 P04637 4/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RAB9A P51151 2/20 0.52
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
AURKA O14965 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.38
EGFR P00533 1/20 0.38
KDR P35968 1/20 0.38
HTR2C P28335 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH3 Q9ULD8 1/20 0.37
DHODH Q02127 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37

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
SCHEMBL21499944 0.95 SMN1; SMN2 (0.52) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL3050610 0.88 SMN1; SMN2 (0.67) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL21500024 0.86 SMN1; SMN2 (0.46) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL21499903 0.84 GAA (0.47) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL21499795 0.84 MAPT (0.54) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL21497127 0.84 TP53 (0.43) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL21499877 0.84 GAA (0.66) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL21499915 0.83 GAA (0.45) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL21499987 0.83 GAA (0.43) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL21497181 0.83 TP53 (0.55) SMN1; SMN2TP53MAPTGAARECQL

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 6 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
US-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2021-08-19 US disclosed
EP-3781572-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS Virginia Tech Intellectual Properties, Inc. (US) 2021-02-24 EP disclosed
WO-2019204813-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 WO 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 323/4885TP53 2822/4885MAPT 4454/4885

“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.