SCHEMBL22326646

SCHEMBL22326646

Cc1cnc2cc(F)cc(F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
PDE10A Q9Y233 1/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PSMB5 P28074 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM5 P41594 1/20 0.31

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
SCHEMBL22326645 0.76 TET2 (0.38) GRM5
SCHEMBL31378742 0.76 MAP4K4 (0.32) KDM4EMEN1ALDH1A1KMT2AGRM5
SCHEMBL23872165 0.76 ALOX5AP (0.36) MAPTMEN1KMT2AGRM5
SCHEMBL21893491 0.74 PDGFRB (0.51) CYP1A2CCR1CCR5CCR8KDM4E
SCHEMBL29324493 0.72 ERN1 (0.35) PDE10AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL23872148 0.71 HCAR2 (0.46) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL23858504 0.70 CYP2C9 (0.46) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL22326614 0.69 CCR1 (0.54) CYP1A2PDE10ACCR1CCR5CCR8
SCHEMBL13638715 0.69 CYP17A1 (0.35) CYP1A2
SCHEMBL29831645 0.69 CYP17A1 (0.35) CYP1A2

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-11219214-B2 Benzosultams and analogues and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2022-01-11 US disclosed
US-20200323211-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-15 US disclosed
US-10736321-B2 Benzosultams and analogues and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-08-11 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-20200323211-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES GABBR1, DPM1, CYP51A1 CYP1A2 36/4885PDE10A 1694/4885CCR1 4876/4885
US-10736321-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 CYP1A2 36/4885PDE10A 1694/4885CCR1 4876/4885
US-11219214-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 CYP1A2 36/4885PDE10A 1694/4885CCR1 4876/4885

“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.