SCHEMBL4129601

SCHEMBL4129601

O=c1ccc(-c2cccc(Cl)c2)nn1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ HDAC1 Q13547 1/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ PDE4B Q07343 1/20 0.49
▸ PDE4C Q08493 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ MET P08581 3/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CHEK1 O14757 1/20 0.46
▸ NEK2 P51955 1/20 0.46
▸ LIMK1 P53667 1/20 0.46
▸ TYRO3 Q06418 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2470365 0.90 MAPT (0.77) MAPTSMN1; SMN2HDAC1KMT2APOLB
SCHEMBL3841951 0.89 MAPT (0.78) MAPTSMN1; SMN2KMT2APOLBPDE4A
SCHEMBL12194158 0.87 MAPT (0.69) MAPTSMN1; SMN2KMT2APOLBPDE4A
SCHEMBL2470591 0.83 MAPT (0.77) MAPTSMN1; SMN2KMT2APOLBPDE4A
SCHEMBL1949173 0.83 MAPT (0.70) MAPTSMN1; SMN2KMT2APOLBMET
SCHEMBL2470246 0.81 HDAC1 (0.59) MAPTSMN1; SMN2HDAC1KMT2APOLB
SCHEMBL3057712 0.79 MET (0.55) HDAC1KMT2APOLBPDE4APDE4B
SCHEMBL23297317 0.78 MEN1 (0.60) MAPTSMN1; SMN2HDAC1KMT2APOLB
SCHEMBL29776798 0.78 MEN1 (0.60) MAPTSMN1; SMN2HDAC1KMT2APOLB
SCHEMBL4124794 0.78 TSHR (0.62) HDAC1KMT2APDE4APDE4BPDE4C

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
US-8173653-B2 Pyridiazinone derivatives for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-08 — — US disclosed
US-8173653-B2 Pyridiazinone derivatives for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-08 — — US disclosed
EP-1960370-B1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2011-10-05 — — EP disclosed
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MERCK PATENT GESELLSCHAFT (DE) 2008-11-27 — — US disclosed
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MERCK PATENT GESELLSCHAFT (DE) 2008-11-27 — — US disclosed
WO-2007065518-A1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2007-06-14 — — 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-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MET, RET, ERBB2 MAPT 3648/4885SMN1; SMN2 3892/4885HDAC1 2297/4885

“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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