SCHEMBL10127870

SCHEMBL10127870

COC(=O)Cc1c(-c2ccccn2)noc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 9/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
APOBEC3G Q9HC16 1/20 0.48
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGA5 P08648 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 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
SCHEMBL10127869 0.85 GABRA5 (0.49) GABRA5KDM4EALDH1A1APOBEC3GRAB9A
SCHEMBL13284947 0.83 PTGS1 (0.48) GABRA5KDM4EALDH1A1APOBEC3GGAA
SCHEMBL406621 0.81 GABRA5 (0.49) GABRA5KDM4E
SCHEMBL408224 0.79 POLB (0.49) GABRA5KDM4EALDH1A1RAB9ANPC1
SCHEMBL10111594 0.76 GABRA5 (0.48) GABRA5KDM4ERAB9AMEN1NPC1
SCHEMBL13285293 0.76 PTGS1 (0.46) GABRA5KDM4EALDH1A1APOBEC3G
SCHEMBL409574 0.74 PTPN1 (0.46) GABRA5KDM4EALDH1A1RAB9ANPC1
SCHEMBL407641 0.73 POLB (0.58) GABRA5KDM4EALDH1A1RAB9ANPC1
SCHEMBL408682 0.70 S1PR1 (0.45) GABRA5KDM4ERAB9ANPC1TP53
SCHEMBL1805715 0.70 LMNA (0.48) GABRA5KDM4EALDH1A1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022041-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 US disclosed
WO-2010085582-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 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-20120022041-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS S1PR1, S1PR4, S1PR3 GABRA5 981/4885KDM4E 3099/4885ALDH1A1 2144/4885

“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.