SCHEMBL22345448

SCHEMBL22345448

COS(=O)(=O)[O-].C[n+]1cc(C(=O)O)c2ccccc2n1

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ POLB P06746 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 7/20 0.39
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38

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
SCHEMBL29563857 1.00 DHODH (0.40) DHODHNPC1RAB9APOLBMAPT
SCHEMBL28641215 0.79 KDM4E (0.52) DHODHPOLBMAPTMEN1KMT2A
Sulfuric Acid SCHEMBL22345449 0.78 KDM4E (0.49) DHODHPOLBMAPTMEN1KMT2A
SCHEMBL22345501 0.74 POLB (0.37) DHODHNPC1RAB9APOLBMEN1
SCHEMBL28923016 0.71 KMT2A (0.36) NPC1MEN1KMT2AGAAKDM4E
Iodide SCHEMBL22345512 0.70 KMT2A (0.35) MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL22345585 0.70 THRB (0.31) MAPK1SMN1; SMN2ALDH1A1HPGDPKM
SCHEMBL22345593 0.69 BBOX1 (0.44) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL22345591 0.69 BBOX1 (0.44) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10695794 0.69 LMNA (0.47) RAB9APOLBMAPTMEN1KMT2A

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 DHODH 154/4885NPC1 3372/4885RAB9A 2499/4885

“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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