SCHEMBL5004534

SCHEMBL5004534

CCOc1ccc(-n2c(C)cc(C(C)=O)c2C)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.74
ALDH1A1 P00352 8/20 0.74
KMT2A Q03164 7/20 0.74
MEN1 O00255 5/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
LMNA P02545 3/20 0.74
MITF O75030 2/20 0.74
HKDC1 Q2TB90 2/20 0.74
GAA P10253 1/20 0.65
NOTUM Q6P988 2/20 0.60
RXFP1 Q9HBX9 2/20 0.57
MAPK1 P28482 2/20 0.56
HTT P42858 2/20 0.54
RAB9A P51151 1/20 0.54
PKM P14618 2/20 0.54
NPSR1 Q6W5P4 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.49

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
SCHEMBL5001446 0.87 MAPK1 (0.73) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5007977 0.83 ALDH1A1 (0.66) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5004589 0.82 NOTUM (0.53) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5004871 0.80 NOTUM (0.53) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10372395 0.80 NOTUM (0.75) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5005526 0.79 NOTUM (0.50) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10370979 0.77 NOTUM (0.77) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL23264867 0.77 USP14 (0.60) NOTUM
SCHEMBL30497754 0.76 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL15331752 0.76 NOTUM (0.64) MAPTALDH1A1KMT2AMEN1SMN1; SMN2

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 1590/4885KMT2A 2190/4885

“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.