SCHEMBL30366991

SCHEMBL30366991

O=C1N=CN(F)C1=Cc1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.41
F3 P13726 1/20 0.41
HSD11B1 P28845 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
APEX1 P27695 1/20 0.38
METAP1 P53582 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
GSK3B P49841 2/20 0.37
AKR1B1 P15121 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL3712821 0.63 KDM4E (0.41) CYP2C9CYP1A2CYP3A4ALDH1A1KMT2A
SCHEMBL132172 0.62 GSK3B (0.50) CYP2C9F3HSD11B1CYP1A2CYP3A4
SCHEMBL132173 0.62 GSK3B (0.50) CYP2C9F3HSD11B1CYP1A2CYP3A4
Hydrogen Peroxide SCHEMBL29033947 0.61 GSK3B (0.49) CYP2C9F3HSD11B1CYP1A2CYP3A4
SCHEMBL5960833 0.60 ALDH5A1 (0.42) CYP2C9F3HSD11B1CYP1A2CYP3A4
SCHEMBL751633 0.59 GSK3B (0.50) CYP2C9F3HSD11B1CYP1A2CYP3A4
SCHEMBL751632 0.59 GSK3B (0.50) CYP2C9F3HSD11B1CYP1A2CYP3A4
SCHEMBL3714349 0.59 GSK3B (0.50) CYP2C9F3HSD11B1CYP1A2CYP3A4
SCHEMBL4309813 0.59 ALDH5A1 (0.58) CYP2C9F3HSD11B1CYP1A2CYP3A4
SCHEMBL2025881 0.58 CYP2C9 (0.61) CYP2C9F3HSD11B1CYP1A2CYP3A4

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-20230121031-A1 MASKED FLUOROGENIC COMPOUNDS AND METHODS OF USING THE SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-04-20 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-20230121031-A1 MASKED FLUOROGENIC COMPOUNDS AND METHODS OF USING THE SAME HNRNPAB, HAVCR2, APBA1 CYP2C9 4530/4885F3 4100/4885HSD11B1 3232/4885

“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.