SCHEMBL2472952

SCHEMBL2472952

CCc1cc(Br)c(C)nc1N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ NOS3 P29474 2/20 0.37
▸ NOS2 P35228 2/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ DHFR P00374 4/20 0.36
▸ P2RX3 P56373 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL11917199 0.81 GRM1 (0.36) LMNANOS3NOS2NOS1HPGD
SCHEMBL24608936 0.80 TLR8 (0.53) NOS2
SCHEMBL29693601 0.76 LMNA (0.46) LMNANOS3NOS2NOS1HPGD
SCHEMBL2401968 0.76 LMNA (0.46) LMNANOS3NOS2NOS1HPGD
SCHEMBL4480880 0.76 NOS3 (0.37) NOS3NOS2NOS1DHFRKDM4E
SCHEMBL22264554 0.76 NQO2 (0.37) LMNAHPGDALDH1A1APOBEC3GKDM4E
SCHEMBL1565399 0.74 LMNA (0.44) LMNANOS3NOS2NOS1HPGD
SCHEMBL7002357 0.74 LMNA (0.44) LMNANOS3NOS2NOS1HPGD
SCHEMBL30037705 0.74 LMNA (0.44) LMNANOS3NOS2NOS1HPGD
SCHEMBL1740949 0.73 TSHR (0.35) LMNAHPGDALDH1A1APOBEC3GP2RX3

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 8 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
CN-102264731-A 1, 2, 4 -oxadiazole derivatives and their therapeutic use — 2011-11-30 — — CN disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 — — EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 — — WO disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 — — WO 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 LMNA 3702/4885NOS3 1394/4885NOS2 2059/4885

“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