Sugi Predict

Sugi Predict / Compounds / SCHEMBL1009770

SCHEMBL1009770

SCHEMBL1009770

CC(C)(C)c1ccc(Cn2nc3cc(-c4ccc(Cl)cc4Cl)n(-c4ccc(Cl)cc4)nc-3c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN3 Q9H6Z9 1/20 0.42
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ ALOX5 P09917 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MARS1 P56192 9/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL1010502 0.90 PTGS1 (0.46) PTGS1PTGS2ALOX5MARS1CNR1
SCHEMBL1009578 0.87 CNR1 (0.40) PTGS1PTGS2ALDH1A1HTTMARS1
SCHEMBL1011833 0.85 PTGS2 (0.43) EGLN3PTGS1PTGS2ALOX5MARS1
SCHEMBL1008459 0.85 PTGS1 (0.42) PTGS1PTGS2ALOX5MARS1CNR1
SCHEMBL1010473 0.84 PTGS1 (0.42) PTGS1PTGS2ALDH1A1HTTMARS1
SCHEMBL1008340 0.82 PTGS2 (0.36) PTGS1PTGS2MARS1CNR1
SCHEMBL1010223 0.81 PTGS1 (0.43) PTGS1PTGS2MAPTHTTSMN1; SMN2
SCHEMBL1009784 0.81 PTGS1 (0.35) PTGS1PTGS2NPC1SMN1; SMN2MARS1
SCHEMBL1009253 0.80 PTGS2 (0.38) PTGS1PTGS2MARS1CNR1CNR2
SCHEMBL1010396 0.80 MARS1 (0.50) PTGS1PTGS2MARS1CNR1

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-7915258-B2 Substituted 2,5-dihydro-3H-pyrazolo[4,3-C]pyridazin-3-one derivatives, preparation thereof and therapeutic use of the same SANOFI-AVENTIS (FR) 2011-03-29 — — US claimed
EP-2094706-B1 SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2011-01-05 — — EP claimed
US-20090281107-A1 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF THE SAME SANOFI-AVENTIS (FR) 2009-11-12 — — US claimed
EP-2094706-B1 SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2011-01-05 — — 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 (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-20090281107-A1 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF THE SAME DHFR, DPYD, QDPR EGLN3 310/4885PTGS1 688/4885PTGS2 560/4885

“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.