SCHEMBL4460142

SCHEMBL4460142

CC(C)(C)OC(=O)N1CCN(c2cccc(O)c2[N+](=O)[O-])CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
SMARCA2 P51531 1/20 0.50
SMARCA4 P51532 1/20 0.50
PBRM1 Q86U86 1/20 0.50
KCNH2 Q12809 1/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MET P08581 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
NAMPT P43490 1/20 0.42
BACE1 P56817 2/20 0.41

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
SCHEMBL5203786 0.89 ALDH1A1 (0.60) MAPTALDH1A1LMNAKCNH2SMN1; SMN2
SCHEMBL1247295 0.88 MAPT (0.59) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL29745194 0.87 MAPT (0.58) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL3854881 0.87 MAPT (0.58) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL4178856 0.87 MAPT (0.58) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL26351952 0.86 ALDH1A1 (0.57) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL6845367 0.85 MAPT (0.56) MAPTALDH1A1LMNASMARCA2SMARCA4
SCHEMBL22835148 0.84 MAPT (0.55) MAPTALDH1A1LMNAKCNH2MET
SCHEMBL31316587 0.83 ALDH1A1 (0.54) MAPTALDH1A1LMNAKCNH2GAA
SCHEMBL2382922 0.82 GAA (0.69) MAPTALDH1A1LMNASMARCA2SMARCA4

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-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
US-20060264631-A1 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-11-23 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-20060264631-A1 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor GNRHR, GHRHR, LHCGR MAPT 2825/4885ALDH1A1 4164/4885LMNA 4600/4885

“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.