SCHEMBL22326654

SCHEMBL22326654

Clc1ccc2cc(I)cnc2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.36
CCR8 P51685 3/20 0.36
CCR5 P51681 2/20 0.36
ALK Q9UM73 1/20 0.34
CYP2A6 P11509 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TET2 Q6N021 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE10A Q9Y233 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL22326616 0.81 TET2 (0.36) CCR1CCR8CCR5ALKTET2
SCHEMBL22846538 0.81 CCR1 (0.52) CCR1CCR8CCR5CYP2A6LMNA
SCHEMBL30505759 0.80 CCR1 (0.39) CCR1CCR8CCR5ALKCYP2A6
SCHEMBL27840289 0.80 CCR1 (0.39) CCR1CCR8CCR5ALKCYP2A6
SCHEMBL8838409 0.77 CCR1 (0.67) CCR1CCR8CCR5ALKCYP2A6
SCHEMBL3204532 0.77 NR4A2 (0.38) CCR1CCR8CCR5CYP2A6LMNA
Tetramethylammonium Ion SCHEMBL8838484 0.72 CCR1 (0.36) CCR1CCR8CCR5ALKMAPT
SCHEMBL21064344 0.71 CCR1 (0.76) CCR1CCR8CCR5CYP2A6KMT2A
SCHEMBL8838516 0.69 CYP11B1 (0.38) CCR1CCR8CCR5LMNAMAPT
SCHEMBL8838388 0.69 CCR1 (0.34) CCR1CCR8CCR5ALKMEN1

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 CCR1 4876/4885CCR8 4830/4885CCR5 4873/4885
US-10736321-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 CCR1 4876/4885CCR8 4830/4885CCR5 4873/4885
US-11219214-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 CCR1 4876/4885CCR8 4830/4885CCR5 4873/4885

“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.