SCHEMBL5005582

SCHEMBL5005582

CCOc1ccc([N+](=O)[O-])c(CO)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.63
▸ ALDH1A1 P00352 4/20 0.63
▸ LMNA P02545 2/20 0.63
▸ RAB9A P51151 8/20 0.48
▸ NPC1 O15118 7/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MAPK1 P28482 4/20 0.48
▸ RECQL P46063 1/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ PKM P14618 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL22291692 0.89 MAPT (0.69) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL6565692 0.88 MAPT (0.65) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL8631234 0.88 MAPT (0.57) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL7717015 0.86 MAPT (0.51) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL1589463 0.86 MAPT (0.50) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL3596655 0.85 MAPT (0.46) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL23801874 0.84 MAPT (0.53) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL6567529 0.84 MAPT (0.53) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL1289600 0.84 ALDH1A1 (0.49) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL16095591 0.83 MAPT (0.55) MAPTALDH1A1LMNARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150590-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2017-04-05 — — EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
US-7465730-B2 Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds MERCK & CO. INC. (US) 2008-12-16 — — US disclosed
US-20060154929-A1 Treatment of neuropathic pain with 6h-pyrrolo[3,4-d]pyridazine compounds MERCK SHARP & DOHME CORP. 2006-07-13 — — US disclosed
EP-1539168-A2 TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO(3,4-D)PYRIDAZINE COMPOUNDS Merck & Co., Inc. (US) 2005-06-15 — — EP disclosed
WO-2004006836-A2 TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO[3,4-D]PYRIDAZINE COMPOUNDS MERCK & CO., INC. (US) 2004-01-22 — — 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 (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-20060154929-A1 Treatment of neuropathic pain with 6h-pyrrolo[3,4-d]pyridazine compounds GRIN2C, CACNA1C, CACNG4 MAPT 455/4885ALDH1A1 1590/4885LMNA 3722/4885

“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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