SCHEMBL8900862

SCHEMBL8900862

Cc1ccccc1-c1c(O)c(C)nn(CC(F)F)c1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
BRD4 O60885 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
CASR P41180 3/20 0.33
MAPK14 Q16539 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 1/20 0.33
NR1I2 O75469 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8902897 0.88 ELANE (0.34) ELANEBRD4KMT2ACASR
SCHEMBL8902356 0.86 HEXA (0.38) ELANEBRD4KMT2ACASRKDM4E
SCHEMBL8901663 0.84 KDM4E (0.33) ELANEBRD4KMT2AUSP2ALDH1A1
SCHEMBL8901653 0.84 PDE5A (0.33) ELANEBRD4USP2CASRNR1I2
SCHEMBL11965004 0.84 PDE4A (0.41) ELANEBRD4LMNANPSR1KDM4E
SCHEMBL8903480 0.83 GABRA1 (0.35) ELANEBRD4KMT2ACASR
SCHEMBL8900869 0.82 PDE5A (0.40) ELANEBRD4LMNAMAPK14NPSR1
SCHEMBL11965006 0.82 PTGS2 (0.40) BRD4LMNANPSR1ALDH1A1POLB
SCHEMBL8901048 0.81 POLB (0.47) LMNAKMT2ANPSR1ALDH1A1POLB
SCHEMBL12603544 0.79 MAPT (0.39) BRD4LMNAKMT2AUSP2ALDH1A1

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 ELANE 3397/4885BRD4 1433/4885LMNA 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.