SCHEMBL3559618

SCHEMBL3559618

O=C(O)NCc1cc(F)c(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.42
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
DPP4 P27487 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 3/20 0.35

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
SCHEMBL22469063 0.86 TSHR (0.39) EPHX2NR1H4KDM4ERAB9ACYP1A2
SCHEMBL25210450 0.85 FPR3 (0.41) CHRM4ERCC1ERCC4EPHX2NR1H4
SCHEMBL22469111 0.84 TSHR (0.35) CHRM4ERCC1ERCC4EPHX2NR1H4
SCHEMBL29788856 0.82 BDKRB1 (0.46) CHRM4ERCC1ERCC4DPP4KMT2A
SCHEMBL19743901 0.81 CHRM4 (0.46) CHRM4RAB9AKMT2A
SCHEMBL3562274 0.79 ALDH1A1 (0.48) CHRM4RAB9AP2RX7
SCHEMBL3568253 0.79 P2RX7 (0.53) EPHX2NR1H4MEN1KMT2AP2RX7
SCHEMBL4338177 0.77 AKR1B1 (0.53) CHRM4ERCC1ERCC4EPHX2NR1H4
SCHEMBL5308796 0.77 MAOB (0.48) ERCC1ERCC4EPHX2NR1H4P2RX7
SCHEMBL27787353 0.77 AKR1B1 (0.44) CHRM4ERCC1ERCC4EPHX2NR1H4

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-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP CHRM4 4297/4885ERCC1 3555/4885ERCC4 3438/4885

“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.