SCHEMBL9954364

SCHEMBL9954364

CC(c1ccccc1)n1ncc(-c2ccc(O)cc2)c(Cl)c1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
ROCK2 O75116 3/20 0.38
CREBBP Q92793 4/20 0.38
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPBWR1 P48145 1/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 1/20 0.36
FAAH O00519 4/20 0.35
MET P08581 1/20 0.35
LPAR1 Q92633 1/20 0.35
KAT2B Q92831 2/20 0.35

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 0.86 PTGS2 (0.43) ATMROCK2CREBBPALDH1A1TDP1
SCHEMBL9953430 0.86 PTGS2 (0.43) ATMROCK2CREBBPALDH1A1TDP1
SCHEMBL9953264 0.86 PTGS2 (0.43) ATMROCK2CREBBPALDH1A1TDP1
SCHEMBL28819790 0.81 OPRK1 (0.48) ATMROCK2CREBBPALDH1A1TDP1
SCHEMBL15302848 0.81 OPRK1 (0.48) ATMROCK2CREBBPALDH1A1TDP1
SCHEMBL9954004 0.78 RAB9A (0.51) ROCK2CREBBPALDH1A1NPBWR1FAAH
SCHEMBL9953649 0.78 RAB9A (0.51) ROCK2CREBBPALDH1A1NPBWR1FAAH
SCHEMBL10036282 0.78 RAB9A (0.51) ROCK2CREBBPALDH1A1NPBWR1FAAH
SCHEMBL9954533 0.77 KCNA5 (0.42) CREBBP
SCHEMBL15305627 0.76 PTGS2 (0.48) ROCK2CREBBPFAAHMETLPAR1

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-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
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
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 ATM 4024/4885ROCK2 4425/4885CREBBP 4462/4885

“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.