SCHEMBL3462269

SCHEMBL3462269

CCn1nc(-c2nc(-c3ccc(C(=O)OC)cc3Br)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 1/20 0.38
OPRM1 P35372 1/20 0.35
KDM4E B2RXH2 2/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
S1PR1 P21453 7/20 0.32
S1PR3 Q99500 6/20 0.32
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32
GABRA5 P31644 1/20 0.31

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
SCHEMBL2476261 0.88 RARB (0.37) MAPTNPC1RAB9AALDH1A1OPRM1
SCHEMBL2473968 0.80 S1PR1 (0.35) MAPTNPC1RAB9AOPRM1TSHR
SCHEMBL3462797 0.79 S1PR1 (0.38) RARARARBRARGS1PR1S1PR3
SCHEMBL3462747 0.79 MAPT (0.39) MAPTALDH1A1OPRM1RARARARB
SCHEMBL2474605 0.79 RARB (0.45) RARARARBRARGS1PR1
SCHEMBL3463052 0.79 CYP2D6 (0.33) OPRM1S1PR1S1PR3
SCHEMBL2474335 0.77 S1PR1 (0.32) MAPTS1PR1S1PR3
SCHEMBL2474311 0.77 NPC1 (0.39) MAPTNPC1RAB9AS1PR1S1PR3
SCHEMBL2475990 0.76 S1PR1 (0.40) S1PR1S1PR3
SCHEMBL2470051 0.76 TP53 (0.43) MAPTNPC1RAB9AMEN1GAA

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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 MAPT 3569/4885NPC1 292/4885RAB9A 2753/4885

“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.