SCHEMBL5099479

SCHEMBL5099479

O=C(c1nc(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)o1)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ CNR1 P21554 2/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ MAPT P10636 5/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ USP2 O75604 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ HPGD P15428 1/20 0.45
▸ MEN1 O00255 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 0.87 CNR1 (0.53) TSHRALDH1A1SMN1; SMN2CNR1LMNA
SCHEMBL5098463 0.87 CNR1 (0.53) TSHRALDH1A1SMN1; SMN2CNR1LMNA
SCHEMBL5103007 0.86 CNR1 (0.60) TSHRALDH1A1SMN1; SMN2CNR1LMNA
SCHEMBL5105716 0.86 LMNA (0.52) TSHRALDH1A1SMN1; SMN2CNR1LMNA
SCHEMBL5106047 0.85 CNR1 (0.57) TSHRALDH1A1SMN1; SMN2CNR1MAPT
SCHEMBL5103312 0.80 CNR1 (0.54) TSHRALDH1A1SMN1; SMN2CNR1LMNA
SCHEMBL5106144 0.77 CNR1 (0.45) CNR1
SCHEMBL5112828 0.75 ALDH1A1 (0.48) ALDH1A1CNR1LMNAMAPTKMT2A
SCHEMBL5098772 0.75 NR4A2 (0.60) TSHRALDH1A1SMN1; SMN2CNR1KMT2A
SCHEMBL5111599 0.73 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 8 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
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
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 TSHR 664/4885ALDH1A1 97/4885SMN1; SMN2 1359/4885

“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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