SCHEMBL5112828

SCHEMBL5112828

NC(=O)C1(N2CCCCC2)CCN(C(=O)c2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)o2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CNR1 P21554 5/20 0.48
▸ CYP2C19 P33261 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LMNA P02545 1/20 0.42

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
SCHEMBL5111398 0.91 CNR1 (0.59) ALDH1A1TP53CNR1CYP2C19KDM4E
SCHEMBL5106144 0.79 CNR1 (0.45) CNR1
SCHEMBL5106083 0.77 CNR1 (0.54) CNR1
SCHEMBL5099479 0.75 TSHR (0.59) ALDH1A1TP53CNR1MAPTUSP2
SCHEMBL5106047 0.72 CNR1 (0.57) ALDH1A1CNR1MAPTGAAMEN1
SCHEMBL5111599 0.72 CNR1 (0.54) CNR1
SCHEMBL5098772 0.72 NR4A2 (0.60) ALDH1A1TP53CNR1KDM4EKMT2A
SCHEMBL5113110 0.71 CNR1 (0.51) ALDH1A1CNR1
SCHEMBL5110891 0.70 CNR1 (0.57) CNR1
SCHEMBL5103007 0.69 CNR1 (0.60) ALDH1A1TP53CNR1MAPTKMT2A

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
US-7320978-B2 Oxazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2008-01-22 — — US claimed
US-20070043060-A1 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-02-22 — — US claimed
EP-1716142-A2 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEROF Sanofi-Aventis (FR) 2006-11-02 — — EP claimed
WO-2005080357-A2 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEROF SANOFI-AVENTIS (FR) 2005-09-01 — — WO claimed
EP-1716142-A2 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEROF Sanofi-Aventis (FR) 2006-11-02 — — EP disclosed
WO-2005080357-A2 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEROF SANOFI-AVENTIS (FR) 2005-09-01 — — 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-20070043060-A1 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF OXA1L, ARG2, CYP3A7 ALDH1A1 97/4885TP53 4210/4885CNR1 246/4885

“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.

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