SCHEMBL5102816

SCHEMBL5102816

O=C(O)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 10/20 0.56
▸ NR4A2 P43354 1/20 0.48
▸ DHODH Q02127 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SRD5A2 P31213 1/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ MARS1 P56192 1/20 0.40
▸ EIF4E P06730 1/20 0.39

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
SCHEMBL5105634 0.92 CNR1 (0.64) CNR1NR4A2KDM4ENPC1CRHBP
SCHEMBL5106478 0.82 CNR1 (0.64) CNR1NR4A2KDM4ENPC1CRHBP
SCHEMBL5098772 0.80 NR4A2 (0.60) CNR1NR4A2KDM4ENPC1RAB9A
SCHEMBL5106096 0.76 CNR1 (0.49) CNR1CNR2
SCHEMBL5106206 0.75 CNR1 (0.56) CNR1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5034224 0.73 CNR1 (0.57) CNR1DHODHKDM4ENPC1CRHBP
SCHEMBL5484595 0.73 CNR1 (0.46) CNR1KDM4ECNR2
SCHEMBL5103007 0.72 CNR1 (0.60) CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL5111418 0.72 CNR1 (1.00) CNR1CNR2
SCHEMBL5106047 0.70 CNR1 (0.57) CNR1NPC1RAB9ASMN1; SMN2

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-7320978-B2 Oxazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2008-01-22 — — US disclosed
US-20070043060-A1 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-02-22 — — 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-20070043060-A1 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF OXA1L, ARG2, CYP3A7 CNR1 246/4885NR4A2 1444/4885DHODH 760/4885

“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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