SCHEMBL13463231

SCHEMBL13463231

COc1cccc(NC(=O)CNc2nnc(-c3ccc(F)c(N)c3)o2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.52
▸ ADCY1 Q08828 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HAVCR2 Q8TDQ0 1/20 0.45

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
SCHEMBL2189787 0.88 KDM4E (0.51) KDM4EADCY1TP53SMN1; SMN2RAB9A
SCHEMBL2190075 0.82 CDC7 (0.55) KDM4EADCY1TP53SMN1; SMN2RAB9A
SCHEMBL2191201 0.80 RAB9A (0.55) KDM4EADCY1TP53SMN1; SMN2RAB9A
SCHEMBL12507358 0.79 KDM4E (0.49) KDM4EADCY1TP53SMN1; SMN2RAB9A
SCHEMBL12507229 0.76 TP53 (0.47) KDM4EADCY1TP53SMN1; SMN2RAB9A
SCHEMBL20598520 0.69 ADCY1 (1.00) KDM4EADCY1SMN1; SMN2RAB9APOLB
SCHEMBL23991327 0.67 HPGD (0.65) TP53SMN1; SMN2RAB9AALOX15TSHR
SCHEMBL20941666 0.67 ALDH1A1 (0.59) KDM4ETP53SMN1; SMN2RAB9AMAPT
SCHEMBL24232965 0.66 KDM4E (0.59) KDM4EADCY1SMN1; SMN2RAB9AMAPT
SCHEMBL5142657 0.66 NPC1 (0.75) TP53SMN1; SMN2RAB9AALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063115-A1 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 — — US 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-20100063115-A1 5-(1,3,4-OXADIAZOL-2-YL)-1H-INDAZOLE AND 5-(1,3,4-THIADIAZOL-2-YL)-1H-INDAZOLE DERIVATIVES AS SGK INHIBITORS FOR THE TREATMENT OF DIABETES SGK2, SGK1, SGK3 KDM4E 1911/4885ADCY1 3111/4885TP53 4561/4885

“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.

Send feedback