SCHEMBL24909406

SCHEMBL24909406

N#Cc1cc(-c2cccc(F)c2)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
FBP1 P09467 2/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
GPR35 Q9HC97 2/20 0.39
CTSB P07858 1/20 0.39
PIN1 Q13526 1/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.38
GMNN O75496 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL28838788 0.85 VCAM1 (0.40) VCAM1CRHBPCRHR2MAOAMAOB
SCHEMBL3640831 0.80 MAPT (0.47) VCAM1CRHBPCRHR2MAOAMAOB
SCHEMBL24909785 0.79 ACLY (0.45) GPR35HPGDKDM4ENPSR1MAPT
SCHEMBL24909797 0.77 KDM4E (0.43) HPGDKDM4ENPSR1RXFP1ACLY
SCHEMBL3463151 0.77 GPR35 (0.50) VCAM1CRHBPCRHR2MAOAMAOB
SCHEMBL24909840 0.76 ACLY (0.44) HPGDKDM4ENPSR1RXFP1ACLY
SCHEMBL23621220 0.76 MEN1 (0.53) CRHBPCRHR2GPR35HPGDKDM4E
SCHEMBL29936349 0.76 MEN1 (0.53) CRHBPCRHR2GPR35HPGDKDM4E
SCHEMBL9899661 0.75 VCAM1 (0.56) VCAM1MAOAMAOBGPR35CTSB
SCHEMBL24910011 0.74 AR (0.43) HPGDKDM4ENPSR1RXFP1ACLY

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024283-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-01-26 US disclosed
US-9624160-B2 Reactive ionic liquids BASF SE (DE) 2017-04-18 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-20230024283-A1 HERBICIDAL COMPOUNDS DDT, CBR3, GLRX3 VCAM1 4877/4885CRHBP 4421/4885CRHR2 2924/4885

“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.