SCHEMBL1373865

SCHEMBL1373865

Nc1cc(Oc2ccc(F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 4/20 0.57
▸ MAPT P10636 5/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ATM Q13315 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ SOS1 Q07889 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PDE7A Q13946 1/20 0.42
▸ NR4A1 P22736 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL9195043 0.90 MAPT (0.67) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL5348283 0.87 TDP1 (0.65) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL30060469 0.85 MAPT (0.58) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL7807114 0.85 MAPT (0.58) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL11715342 0.84 MAPT (0.56) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL11012447 0.84 MAPT (0.60) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL11655847 0.84 MAPT (0.56) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL5955457 0.84 ALDH1A1 (0.60) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL11015121 0.84 MAPT (0.56) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL23651401 0.83 MAPT (0.52) HSPB1MAPTALDH1A1LMNATDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066372-B2 Deuterated benzimidazole compound and medical use thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-07-20 — — US disclosed
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 — — US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 — — US disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 — — EP disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 — — 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 (2 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-11066372-B2 Deuterated benzimidazole compound and medical use thereof HCN4, HCN3, SCN8A HSPB1 2125/4885MAPT 3671/4885ALDH1A1 671/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 HSPB1 2628/4885MAPT 4150/4885ALDH1A1 4114/4885

“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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