SCHEMBL5105716

SCHEMBL5105716

COc1cccc(N2CCN(C(=O)c3nc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)o3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ CCKAR P32238 4/20 0.51
▸ CNR1 P21554 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ GPR35 Q9HC97 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TSHR P16473 2/20 0.48
▸ HSP90AA1 P07900 2/20 0.45
▸ HSP90AB1 P08238 2/20 0.45
▸ PDK1 Q15118 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MITF O75030 1/20 0.44
▸ PAX8 Q06710 1/20 0.44

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
SCHEMBL5113066 0.90 CNR1 (0.53) LMNACCKARCNR1KMT2ASMN1; SMN2
SCHEMBL5098463 0.88 CNR1 (0.53) LMNACNR1KMT2AMEN1SMN1; SMN2
SCHEMBL5103007 0.87 CNR1 (0.60) LMNACNR1KMT2ANPC1SMN1; SMN2
SCHEMBL5099479 0.86 TSHR (0.59) LMNACNR1KMT2AMEN1SMN1; SMN2
SCHEMBL5103312 0.83 CNR1 (0.54) LMNACNR1KMT2ASMN1; SMN2MAPT
SCHEMBL5106047 0.83 CNR1 (0.57) CNR1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL5769761 0.78 CNR1 (0.47) LMNACNR1KMT2AMEN1
SCHEMBL5110891 0.75 CNR1 (0.57) CNR1
SCHEMBL1383625 0.75 TSHR (0.59) LMNACCKARKMT2AMEN1NPC1
SCHEMBL5111599 0.75 CNR1 (0.54) CNR1

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 4 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

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 LMNA 3695/4885CCKAR 979/4885CNR1 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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