SCHEMBL22353104

SCHEMBL22353104

O=[N+]([O-])c1ccc(-c2cnn[nH]2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.46
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SIRT6 Q8N6T7 1/20 0.41
CYP3A4 P08684 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
PGR P06401 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL1068671 0.80 MAPT (0.48) SIRT6CYP3A4LMNATSHRNPSR1
SCHEMBL1814558 0.79 NOTUM (0.58) ARSIRT6CYP3A4LMNACYP1A2
SCHEMBL22353101 0.75 CDK2 (0.40) CYP1A2KIF11
SCHEMBL22353117 0.74 ABCC8 (0.46) ARCYP3A4LMNAALDH1A1ALOX15
SCHEMBL29074284 0.73 CRHBP (0.49) ARSIRT6CYP3A4LMNACYP1A2
SCHEMBL11624085 0.73 KDR (0.46) ARSIRT6CYP3A4LMNACYP1A2
SCHEMBL22353092 0.73 AR (0.44) ARHDAC3HDAC1HDAC2HDAC6
SCHEMBL17673929 0.72 MAPT (0.56) CYP3A4LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL28242342 0.72 AR (0.46) ARHDAC3HDAC1HDAC2HDAC6
SCHEMBL10939876 0.72 KIF11 (0.51) ARSIRT6CYP3A4LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161835-B2 Compounds and their use for reducing uric acid levels ACQUIST LLC (US) 2021-11-02 US disclosed
US-20200339545-A1 Compounds And Their Use For Reducing Uric Acid Levels ACQUIST LLC (US) 2020-10-29 US disclosed
US-10752613-B2 Compounds and their use for reducing uric acid levels ACQUIST LLC (US) 2020-08-25 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 (3 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-20200339545-A1 Compounds And Their Use For Reducing Uric Acid Levels XDH, OAT, PON1 AR 2962/4885HDAC3 3124/4885HDAC1 2606/4885
US-11161835-B2 Compounds and their use for reducing uric acid levels XDH, OAT, PON1 AR 2962/4885HDAC3 3124/4885HDAC1 2606/4885
US-10752613-B2 Compounds and their use for reducing uric acid levels XDH, OAT, PON1 AR 2962/4885HDAC3 3124/4885HDAC1 2606/4885

“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.