SCHEMBL3117740

SCHEMBL3117740

CCN(C(=O)O)c1cccc(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ GABRA1 P14867 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ MET P08581 5/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CHRNE Q04844 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
SCHEMBL3117728 1.00 MAPT (0.58) MAPTSMN1; SMN2GABRA1GABRB2MET
SCHEMBL3122723 0.86 MET (0.48) METKMT2AMEN1PDE4APDE4B
SCHEMBL3109927 0.85 HDAC1 (0.45) GABRA1GABRB2METKMT2AMEN1
SCHEMBL3108392 0.85 MET (0.47) METKMT2AMEN1PDE4APDE4B
SCHEMBL3119589 0.82 MEN1 (0.50) MAPTSMN1; SMN2METKMT2AMEN1
SCHEMBL3119810 0.82 MEN1 (0.50) MAPTSMN1; SMN2METKMT2AMEN1
SCHEMBL3112440 0.82 MEN1 (0.50) MAPTSMN1; SMN2METKMT2AMEN1
SCHEMBL3841951 0.80 MAPT (0.78) MAPTSMN1; SMN2GABRA1GABRB2MET
SCHEMBL3103580 0.80 MEN1 (0.48) MAPTSMN1; SMN2METKMT2AMEN1
SCHEMBL12194158 0.78 MAPT (0.69) MAPTSMN1; SMN2GABRA1GABRB2MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 — — US disclosed
US-20100179148-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-15 — — 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-20100179148-A1 PYRIDAZINONE DERIVATIVES MET, ERBB2, RET MAPT 4114/4885SMN1; SMN2 3373/4885GABRA1 2499/4885

“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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