SCHEMBL5005311

SCHEMBL5005311

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.63
▸ ALDH1A1 P00352 5/20 0.63
▸ LMNA P02545 1/20 0.63
▸ KMT2A Q03164 8/20 0.48
▸ MEN1 O00255 7/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ HPGD P15428 1/20 0.46
▸ NPC1 O15118 7/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ RAB9A P51151 6/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ PKM P14618 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL6371197 0.82 MAPK1 (0.51) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL6677275 0.82 MAPT (0.73) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL5004832 0.79 ALDH1A1 (0.69) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL22291692 0.79 MAPT (0.69) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL2774063 0.78 MAPT (1.00) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL16095273 0.78 MAPT (0.67) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL607025 0.78 MAPT (0.67) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL10628038 0.78 MAPT (0.67) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4899731 0.78 MAPT (0.67) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL16955293 0.78 MAPT (0.67) MAPTALDH1A1LMNAKMT2AMEN1

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-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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