SCHEMBL3428216

SCHEMBL3428216

COc1nnc(-c2cc(C)c(O)c(C)c2)cc1-c1cc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.42
F10 P00742 9/20 0.42
PLG P00747 9/20 0.42
PLAU P00749 9/20 0.42
PRSS1 P07477 9/20 0.42
HRH3 Q9Y5N1 1/20 0.40
F7 P08709 6/20 0.40
F3 P13726 5/20 0.40
PLAT P00750 6/20 0.39
HPN P05981 2/20 0.39
KLKB1 P03952 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
GRIK1 P39086 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 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
SCHEMBL3424201 0.88 HRH3 (0.42) F2F10PLGPLAUPRSS1
SCHEMBL1751045 0.83 KDM4E (0.47) CASP3SENP8SENP7SENP6
SCHEMBL3424454 0.79 F2 (0.43) F2F10PLGPLAUPRSS1
SCHEMBL3424712 0.76 PKN1 (0.51) HRH3
SCHEMBL537661 0.75 PPARG (0.48) F2F10PLGPLAUPRSS1
SCHEMBL3425389 0.71 HRH3 (0.46) HRH3
SCHEMBL27659732 0.69 KDM4E (0.61) HPNCASP3SENP8SENP7SENP6
SCHEMBL16531739 0.67 GSK3B (0.42) F2F10PLGPLAUPRSS1
Trifluoroacetic Acid SCHEMBL1749441 0.67 SLC22A12 (0.48) CASP3SENP8SENP7SENP6
SCHEMBL4334503 0.67 CASP3 (0.57) F2F10PLGPLAUPRSS1

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-1753743-B1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2015-03-04 EP disclosed
US-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 US disclosed
EP-1753743-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis Deutschland GmbH (DE) 2007-02-21 EP disclosed
WO-2005111018-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR PRODUCING THEM AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-11-24 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-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS GSK3B, GSK3A, PDXK F2 1703/4885F10 2589/4885PLG 1367/4885

“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.