SCHEMBL7239084

SCHEMBL7239084

O=[N+]([O-])c1c(C(F)(F)F)ccnc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 5/20 0.36
KCNJ11 Q14654 5/20 0.36
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
CTSB P07858 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
CASP6 P55212 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL31481297 1.00 ABCC8 (0.36) ABCC8KCNJ11ALDH1A1MEN1KMT2A
SCHEMBL8565404 0.79 MAPT (0.42) ABCC8KCNJ11ALDH1A1KMT2AKDM4E
SCHEMBL29004847 0.79 EPAS1 (0.38) ABCC8KCNJ11ALDH1A1MEN1KMT2A
SCHEMBL28275245 0.77 MEN1 (0.43) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL31481294 0.76 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL28058098 0.76 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL31571463 0.76 GPR35 (0.47) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL1191637 0.76 GPR35 (0.47) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL29534703 0.73 MEN1 (0.44) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL801243 0.73 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT

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-6514997-B2 Block the activity of picornaviral 3C protease AGOURON PHARMACEUTICALS, INC. 2003-02-04 US disclosed
EP-1252145-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2001-11-29 US disclosed
WO-2001040189-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-06-07 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-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis RNASE1, SERPINB1, RNASEH1 ABCC8 3060/4885KCNJ11 4775/4885ALDH1A1 3180/4885

“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.