SCHEMBL22977705

SCHEMBL22977705

CCO/N=C(/c1c(O)c(C)nn(C)c1=O)c1cc(Br)cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ LMNA P02545 5/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HPGD P15428 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
SCHEMBL31606403 1.00 SMN1; SMN2 (0.35) SMN1; SMN2LMNAALDH1A1KDM4ERAB9A
SCHEMBL22977708 0.90 RAB9A (0.33) SMN1; SMN2LMNAALDH1A1KDM4ERAB9A
SCHEMBL22977712 0.90 RAB9A (0.33) SMN1; SMN2LMNAALDH1A1KDM4ERAB9A
SCHEMBL31606376 0.90 RAB9A (0.33) SMN1; SMN2LMNAALDH1A1KDM4ERAB9A
SCHEMBL31606385 0.90 RAB9A (0.33) SMN1; SMN2LMNAALDH1A1KDM4ERAB9A
SCHEMBL31606378 0.90 SMN1; SMN2 (0.31) SMN1; SMN2LMNA
SCHEMBL22977719 0.90 SMN1; SMN2 (0.31) SMN1; SMN2LMNA
SCHEMBL22977706 0.77 SMN1; SMN2 (0.33) SMN1; SMN2LMNAALDH1A1KDM4ERAB9A
SCHEMBL21178996 0.77 SMN1; SMN2 (0.33) SMN1; SMN2LMNAALDH1A1KDM4ERAB9A
SCHEMBL22977717 0.70 CNR1 (0.34) SMN1; SMN2LMNAALDH1A1KDM4E

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 3 patents. 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 claimed
US-20260098020-A1 HERBICIDAL PYRIMIDINYLMETHYL-SUBSTITUTED 1,2,4-TRIAZOLES FMC CORP (US) 2026-04-09 — — US disclosed
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 (2 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 4480/4885LMNA 3146/4885ALDH1A1 257/4885
US-20260098020-A1 HERBICIDAL PYRIMIDINYLMETHYL-SUBSTITUTED 1,2,4-TRIAZOLES CBR3, CBR1, CNPY3 SMN1; SMN2 4537/4885LMNA 2391/4885ALDH1A1 536/4885

“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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