SCHEMBL2848243

SCHEMBL2848243

COc1ccc(C(=O)CF)cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.67
LMNA P02545 1/20 0.67
MAPK1 P28482 1/20 0.67
RAB9A P51151 1/20 0.67
KMT2A Q03164 3/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
HRH3 Q9Y5N1 2/20 0.50
ACHE P22303 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
ATM Q13315 1/20 0.48
TSHR P16473 2/20 0.47
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL6580881 0.87 HTT (0.63) HTTLMNAMAPK1RAB9AKMT2A
SCHEMBL6331262 0.86 HTT (0.67) HTTLMNAMAPK1RAB9AKMT2A
SCHEMBL141068 0.86 HTT (0.49) HTTLMNAMAPK1RAB9AKMT2A
SCHEMBL2845183 0.86 HTT (0.67) HTTLMNAMAPK1RAB9AKMT2A
SCHEMBL8680313 0.86 TSHR (0.63) HTTLMNAMAPK1KMT2AMAPT
SCHEMBL29620834 0.85 HTT (0.65) HTTLMNAMAPK1RAB9AKMT2A
SCHEMBL773681 0.85 HTT (0.65) HTTLMNAMAPK1RAB9AKMT2A
SCHEMBL13003860 0.85 HTT (0.65) HTTLMNAMAPK1RAB9AKMT2A
SCHEMBL4495664 0.83 HTT (0.68) HTTLMNAMAPK1RAB9AKMT2A
SCHEMBL16376271 0.83 HTT (0.63) HTTLMNAMAPK1RAB9AKMT2A

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-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A HTT 4752/4885LMNA 1872/4885MAPK1 1160/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A HTT 4722/4885LMNA 1091/4885MAPK1 836/4885

“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.