SCHEMBL4713932

SCHEMBL4713932

CC(=O)NCc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.60
▸ POLB P06746 2/20 0.60
▸ BRD4 O60885 1/20 0.60
▸ LMNA P02545 1/20 0.59
▸ TDP1 Q9NUW8 2/20 0.58
▸ MAPT P10636 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ PARP1 P09874 2/20 0.56
▸ PRMT5 O14744 1/20 0.55
▸ HIF1A Q16665 1/20 0.54
▸ AR P10275 4/20 0.53

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
SCHEMBL6332757 0.88 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EPOLBBRD4LMNA
SCHEMBL13858810 0.86 KDM4E (0.66) SMN1; SMN2KDM4EPOLBBRD4LMNA
SCHEMBL17444767 0.82 KDM4E (0.73) SMN1; SMN2KDM4EPOLBBRD4LMNA
SCHEMBL6340069 0.82 BRD4 (0.75) SMN1; SMN2KDM4EPOLBBRD4LMNA
SCHEMBL17444764 0.81 TDP1 (0.57) SMN1; SMN2KDM4EPOLBBRD4LMNA
SCHEMBL17444766 0.78 KDM4E (0.60) SMN1; SMN2KDM4EPOLBBRD4LMNA
SCHEMBL17444768 0.77 AR (0.64) SMN1; SMN2KDM4EPOLBBRD4LMNA
SCHEMBL17444762 0.76 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EPOLBBRD4LMNA
SCHEMBL17444769 0.76 KDM4E (0.57) SMN1; SMN2KDM4EPOLBBRD4LMNA
SCHEMBL9328808 0.76 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EPOLBLMNAMAPT

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
EP-1677799-A4 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO INC (US) 2008-09-10 — — EP disclosed
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain MERCK & CO., INC. 2007-09-13 — — US disclosed
EP-1677799-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN Merck & Co., Inc. (US) 2006-07-12 — — EP disclosed
WO-2005041971-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-05-12 — — 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-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain PER2, CNR2, OPRD1 SMN1; SMN2 2442/4885KDM4E 1349/4885POLB 2171/4885

“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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