SCHEMBL1251535

SCHEMBL1251535

CC(C(=O)NCCNC(=O)OC(C)(C)C)c1n[nH]c(=O)c2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 13/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.38
▸ GFER P55789 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ EPHX1 P07099 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1252034 0.96 PARP1 (0.44) PARP1NPSR1GFERALDH1A1
Hydrochloric Acid SCHEMBL1252307 0.81 PARP1 (0.41) PARP1
SCHEMBL6717715 0.80 PARP1 (0.41) PARP1
Hydrochloric Acid SCHEMBL1252428 0.78 PARP1 (0.40) PARP1
SCHEMBL1252510 0.78 PARP1 (0.52) PARP1
SCHEMBL1251208 0.77 PARP1 (0.51) PARP1NPSR1GFERALDH1A1
SCHEMBL1252624 0.76 PARP1 (0.51) PARP1NPSR1GFERALDH1A1
SCHEMBL1252631 0.74 PARP1 (0.51) PARP1
SCHEMBL1251130 0.74 PARP1 (0.51) PARP1
SCHEMBL1249729 0.73 PARP1 (0.50) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2281818-A1 Fused pyridazine derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-02-09 — — EP disclosed
US-20080261947-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. 2008-10-23 — — US disclosed
US-7402580-B2 Fused pyridazine derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 — — US disclosed
US-20050085476-A1 Fused pyridazine derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 — — US disclosed
EP-1477175-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-17 — — EP 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 (2 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-20050085476-A1 Fused pyridazine derivative compounds and drugs containing the compounds as the active ingredient MUSK, RNASE1, DPYD PARP1 4/4885NPSR1 3011/4885GFER 2612/4885
US-20080261947-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT MUSK, RNASE1, DPYD PARP1 4/4885NPSR1 3032/4885GFER 2621/4885

“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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