SCHEMBL8902605

SCHEMBL8902605

Cc1ccccc1-c1c(O)c(C2CCCC2)nn(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ BRD4 O60885 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ HTT P42858 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALPL P05186 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL8901593 0.95 GABRA1 (0.40) GABRA1GABRB2BRD4ALDH1A1HTT
SCHEMBL8902781 0.84 GABRA1 (0.37) GABRA1GABRB2CNR2PDE5APDE1A
SCHEMBL8901292 0.82 SHMT2 (0.36) GABRA1GABRB2ALDH1A1HTTMEN1
SCHEMBL8901565 0.79 GABRA1 (0.38) GABRA1GABRB2BRD4PDE4DCNR2
SCHEMBL11965000 0.78 CDK8 (0.44) BRD4ALDH1A1TDP2PDE4DPDE5A
SCHEMBL8903472 0.77 ALDH1A1 (0.40) GABRA1GABRB2BRD4ALDH1A1MEN1
SCHEMBL8903193 0.76 GABRA1 (0.36) GABRA1GABRB2BRD4ALDH1A1HTT
SCHEMBL8903480 0.75 GABRA1 (0.35) GABRA1GABRB2BRD4MEN1KMT2A
SCHEMBL8903094 0.75 GABRA1 (0.35) GABRA1GABRB2BRD4PDE5A
SCHEMBL11965013 0.75 SMN1; SMN2 (0.41) BRD4ALDH1A1MEN1KMT2ATDP2

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 GABRA1 1039/4885GABRB2 838/4885BRD4 1433/4885

“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.

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