SCHEMBL22345508

SCHEMBL22345508

C[C@@H](NC(=O)c1cnnc2ccccc12)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.53
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
BBOX1 O75936 2/20 0.46
EGLN1 Q9GZT9 2/20 0.46
FTO Q9C0B1 1/20 0.46
MEN1 O00255 2/20 0.45
TACR3 P29371 5/20 0.44
NTRK1 P04629 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL22345511 1.00 CCR1 (0.53) CCR1KMT2AKDM4EBBOX1EGLN1
SCHEMBL29564128 0.82 CCR1 (0.46) CCR1KMT2AKDM4EMEN1TACR3
SCHEMBL24400187 0.82 CCR1 (0.46) CCR1KMT2AKDM4EMEN1TACR3
SCHEMBL8572511 0.79 CCR1 (0.50) CCR1KMT2AKDM4EMEN1NTRK1
SCHEMBL14740657 0.79 PREP (0.57) CCR1KMT2ABBOX1EGLN1FTO
SCHEMBL10738732 0.77 HDAC8 (0.47) CCR1KDM4ENTRK1SMN1; SMN2HDAC3
SCHEMBL2408580 0.76 TACR3 (0.49) CCR1KMT2ATACR3SMN1; SMN2HDAC3
SCHEMBL8016105 0.76 HCRTR1 (0.43) CCR1KMT2AMEN1NTRK1SMN1; SMN2
SCHEMBL22345593 0.76 BBOX1 (0.44) KMT2AKDM4EBBOX1EGLN1FTO
SCHEMBL22345591 0.76 BBOX1 (0.44) KMT2AKDM4EBBOX1EGLN1FTO

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 4 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
CN-113423694-A Cinnolinium compounds for use in a method for controlling unwanted plant growth 先正达农作物保护股份公司 2021-09-21 CN 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 CCR1 2143/4885KMT2A 3742/4885KDM4E 3584/4885

“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.