SCHEMBL22977704

SCHEMBL22977704

Cc1nn(C)c(=O)c(C(=O)c2cccc(Cl)c2)c1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPD P32754 2/20 0.41
▸ MAOB P27338 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ELANE P08246 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ NR2E3 Q9Y5X4 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL22977711 0.84 ALDH1A1 (0.41) KMT2AALDH1A1HPDNPC1PKM
SCHEMBL10754583 0.82 ALDH1A1 (0.46) KMT2AALDH1A1MAOBNPC1PKM
SCHEMBL21179259 0.82 MEN1 (0.39) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL22977722 0.82 MEN1 (0.39) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL22977718 0.73 CNR2 (0.48) KMT2AMEN1ALDH1A1MAPT
SCHEMBL3173817 0.69 PARP1 (0.68) ALDH1A1MAOBNPC1MAPTRAB9A
SCHEMBL10754927 0.68 ENPP3 (0.46) KMT2AALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL3444927 0.67 PARP1 (0.65) ALDH1A1MAOBNPC1MAPTRAB9A
SCHEMBL3789703 0.67 MAPK8 (0.38) KMT2AMEN1ALDH1A1NPC1MAPT
SCHEMBL10752526 0.67 MAPT (0.40) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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 KMT2A 655/4885MEN1 4471/4885ALDH1A1 257/4885

“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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