SCHEMBL25372192

SCHEMBL25372192

O=[N+]([O-])c1ccnc(Nc2ccc(C(F)(F)F)cc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EPAS1 Q99814 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.41
TLR2 O60603 3/20 0.41
TLR1 Q15399 3/20 0.41
KIF11 P52732 2/20 0.40
MPO P05164 1/20 0.39
MAPK10 P53779 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PHGDH O43175 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37

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
SCHEMBL26186653 0.78 MAPK10 (0.41) KIF11MAPK10KDM4EALDH1A1
SCHEMBL30285904 0.76 POLB (0.47) MEN1KMT2AMAPTPHGDH
SCHEMBL26186344 0.75 KDR (0.44) KIF11MAPK10KDM4E
SCHEMBL25373160 0.74 KMT2A (0.46) MEN1KMT2AEPAS1MAPTMAPK1
SCHEMBL13428725 0.73 STAT3 (0.53) MEN1KMT2AMAPTALDH1A1PHGDH
SCHEMBL4823456 0.73 MPL (0.44) MAPTTLR2TLR1KIF11KDM4E
SCHEMBL10582677 0.72 MAPT (0.57) MEN1KMT2AEPAS1MAPTTLR2
SCHEMBL15169780 0.72 AKR1B1 (0.42) MEN1KMT2AEPAS1MAPTMAPK1
SCHEMBL29005456 0.72 ROCK1 (0.47) MEN1KMT2AMAPTMAPK10KDM4E
SCHEMBL30285715 0.72 ROCK1 (0.47) MEN1KMT2AMAPTMAPK10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270729-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTIAN OCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2023-08-31 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-20230270729-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTIAN OCULAR DISORDERS P2RX2, P2RX4, P2RX5 MEN1 4807/4885KMT2A 4347/4885EPAS1 542/4885

“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.