SCHEMBL9953264

SCHEMBL9953264

C[C@@H](c1ccccc1)n1ncc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.43
ATM Q13315 1/20 0.42
PTGS1 P23219 2/20 0.41
ROCK2 O75116 2/20 0.38
CREBBP Q92793 3/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
USP7 Q93009 3/20 0.36
HIF1A Q16665 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
SCHEMBL9954116 1.00 PTGS2 (0.43) PTGS2ATMPTGS1ROCK2CREBBP
SCHEMBL9953430 1.00 PTGS2 (0.43) PTGS2ATMPTGS1ROCK2CREBBP
SCHEMBL15305627 0.91 PTGS2 (0.48) PTGS2PTGS1ROCK2CREBBP
SCHEMBL9954364 0.86 ATM (0.42) ATMROCK2CREBBPALDH1A1TDP1
SCHEMBL9954382 0.85 NPBWR1 (0.44) PTGS2CREBBPITGB1ITGA4ITGB7
SCHEMBL28819790 0.82 OPRK1 (0.48) ATMROCK2CREBBPALDH1A1TDP1
SCHEMBL15302848 0.82 OPRK1 (0.48) ATMROCK2CREBBPALDH1A1TDP1
SCHEMBL6603408 0.79 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL9954092 0.79 AKR1C3 (0.41) PTGS1CREBBP
SCHEMBL7918572 0.78 PTGS2 (0.51) PTGS2PTGS1CREBBPALDH1A1ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2654752-B1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PF MEDICAMENT (FR) 2015-05-27 EP claimed
US-8993569-B2 Diarylpyridazinone derivatives, preparation thereof, and use thereof for the treatment of humans PIERRE FABRE MEDICAMENT (FR) 2015-03-31 US claimed
EP-2654752-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS Pierre Fabre Medicament (FR) 2013-10-30 EP claimed
WO-2012085001-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PIERRE FABRE MEDICAMENT (FR) 2012-06-28 WO claimed
EP-2654752-B1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PF MEDICAMENT (FR) 2015-05-27 EP disclosed
EP-2654752-B1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PF MEDICAMENT (FR) 2015-05-27 EP disclosed
US-8993569-B2 Diarylpyridazinone derivatives, preparation thereof, and use thereof for the treatment of humans PIERRE FABRE MEDICAMENT (FR) 2015-03-31 US disclosed
US-8993569-B2 Diarylpyridazinone derivatives, preparation thereof, and use thereof for the treatment of humans PIERRE FABRE MEDICAMENT (FR) 2015-03-31 US disclosed
US-8993569-B2 Diarylpyridazinone derivatives, preparation thereof, and use thereof for the treatment of humans PIERRE FABRE MEDICAMENT (FR) 2015-03-31 US disclosed
EP-2654752-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS Pierre Fabre Medicament (FR) 2013-10-30 EP disclosed
US-20130267520-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PIERRE FABRE MEDICAMENT (FR) 2013-10-10 US disclosed
US-20130267520-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PIERRE FABRE MEDICAMENT (FR) 2013-10-10 US disclosed
US-20130267520-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PIERRE FABRE MEDICAMENT (FR) 2013-10-10 US disclosed
WO-2012085001-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PIERRE FABRE MEDICAMENT (FR) 2012-06-28 WO disclosed
WO-2012085001-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PIERRE FABRE MEDICAMENT (FR) 2012-06-28 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-20130267520-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS KCNA4, KCNK4, KCNQ4 PTGS2 3196/4885ATM 4024/4885PTGS1 1793/4885

“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.