SCHEMBL22977706

SCHEMBL22977706

C#CCO/N=C(/c1c(O)c(C)nn(C)c1=O)c1cccc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ CNR1 P21554 4/20 0.32
▸ CNR2 P34972 4/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CASP1 P29466 1/20 0.31

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
SCHEMBL21178996 1.00 SMN1; SMN2 (0.33) SMN1; SMN2CDC25BLMNACNR1CNR2
SCHEMBL31606378 0.88 SMN1; SMN2 (0.31) SMN1; SMN2LMNA
SCHEMBL22977719 0.88 SMN1; SMN2 (0.31) SMN1; SMN2LMNA
SCHEMBL31606406 0.87 CNR1 (0.34) SMN1; SMN2LMNACNR1CNR2MEN1
SCHEMBL22977717 0.87 CNR1 (0.34) SMN1; SMN2LMNACNR1CNR2MEN1
SCHEMBL31606363 0.87 CNR1 (0.34) SMN1; SMN2LMNACNR1CNR2MEN1
SCHEMBL22977720 0.87 CNR1 (0.34) SMN1; SMN2LMNACNR1CNR2MEN1
SCHEMBL22977705 0.77 SMN1; SMN2 (0.35) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL31606403 0.77 SMN1; SMN2 (0.35) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL22977718 0.76 CNR2 (0.48) CDC25BCNR1CNR2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210045385-A1 PYRIDAZINONE-SUBSTITUTED KETOXIMES AS HERBICIDES FMC CORP (US) 2021-02-18 — — 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-20210045385-A1 PYRIDAZINONE-SUBSTITUTED KETOXIMES AS HERBICIDES CYP1A2, CYP1B1, CYP1A1 SMN1; SMN2 4480/4885CDC25B 684/4885LMNA 3146/4885

“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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