SCHEMBL8902177

SCHEMBL8902177

Cc1ccccc1-c1c(O)c(CCc2cccc(Cl)c2)nn(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.45
ORAI1 Q96D31 1/20 0.41
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
BRD4 O60885 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HTR2C P28335 1/20 0.37
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
ACHE P22303 2/20 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
SCHEMBL8902950 0.88 CASR (0.37) CASRORAI1MAPT
SCHEMBL8901238 0.88 CASR (0.42) CASRLMNA
SCHEMBL8902768 0.88 CASR (0.41) CASRORAI1MAPTCASP3CASP7
SCHEMBL8903038 0.85 CASR (0.39) CASRORAI1TP53MAPTCASP3
SCHEMBL8902995 0.81 TACR1 (0.44) ORAI1LMNABRD4
SCHEMBL11965011 0.81 PDE5A (0.44) LMNAMAPTBRD4
SCHEMBL8900926 0.81 PDE4A (0.42) CASRLMNATP53MAPTBRD4
SCHEMBL8903218 0.79 TACR1 (0.41) CASRBRD4
SCHEMBL8901812 0.78 MAPT (0.43) LMNATP53MAPTBRD4
SCHEMBL11965007 0.78 HEXA (0.43) LMNABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188008-B2 Herbicidally and insecticidally active 4-phenyl-substituted pyridazinones BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
US-20100173775-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE 4-PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-07-08 US 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-20100173775-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE 4-PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX4, PRDX1 CASR 3764/4885ORAI1 3644/4885LMNA 1726/4885

“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.