SCHEMBL22345500

SCHEMBL22345500

O=C(O)c1c[n+](CCOS(=O)(=O)OCC[n+]2cc(C(=O)O)c3ccccc3n2)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ PDE10A Q9Y233 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ DHODH Q02127 2/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34

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
SCHEMBL22345501 0.90 POLB (0.37) KDM4ELMNAPDE10ASMN1; SMN2MEN1
SCHEMBL22124988 0.75 — —
SCHEMBL28625053 0.73 KDM4E (0.44) KDM4ELMNAPDE10ASMN1; SMN2MEN1
SCHEMBL29563857 0.68 DHODH (0.40) KDM4ELMNAPDE10ASMN1; SMN2MEN1
SCHEMBL22345448 0.68 DHODH (0.40) KDM4ELMNAPDE10ASMN1; SMN2MEN1
SCHEMBL22124989 0.66 — —
SCHEMBL22345504 0.66 NSD2 (0.36) KDM4ELMNAPDE10ASMN1; SMN2MEN1
SCHEMBL22144264 0.65 KDM4E (0.49) KDM4ESMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL22144254 0.61 BCHE (0.33) KDM4ERAB9APOLBALDH1A1RXFP1
SCHEMBL18746 0.59 KDM4E (0.83) KDM4ELMNAPDE10ASMN1; SMN2MEN1

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-20220132847-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2022-05-05 — — US disclosed
EP-3924344-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH Syngenta Crop Protection AG (CH) 2021-12-22 — — EP disclosed
WO-2020164970-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — WO 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-20220132847-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH NOTUM, DDT, CYP51A1 KDM4E 3584/4885LMNA 3064/4885PDE10A 1575/4885

“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.

Send feedback