SCHEMBL6345528

SCHEMBL6345528

Clc1ccc2[nH]ccc2c1.Clc1ccc2cc[nH]c2c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 0.84
NR4A2 P43354 2/20 0.84
CMA1 P23946 1/20 0.84
F7 P08709 1/20 0.84
LTA4H P09960 1/20 0.84
F3 P13726 1/20 0.84
ESR1 P03372 1/20 0.50
F11 P03951 1/20 0.48
CSNK2A1 P68400 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2A6 P11509 1/20 0.48
TYR P14679 1/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
RAD51 Q06609 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GPR84 Q9NQS5 1/20 0.45
TRPA1 O75762 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL405311 0.92 AHR (1.00) AHRNR4A2CMA1F7LTA4H
SCHEMBL30587351 0.92 AHR (1.00) AHRNR4A2CMA1F7LTA4H
SCHEMBL29990254 0.92 AHR (1.00) AHRNR4A2CMA1F7LTA4H
SCHEMBL75475 0.92 AHR (1.00) AHRNR4A2CMA1F7LTA4H
Methane SCHEMBL27929622 0.90 AHR (0.95) AHRNR4A2CMA1F7LTA4H
Hydrogen Sulfide SCHEMBL28281607 0.90 AHR (0.95) AHRNR4A2CMA1F7LTA4H
SCHEMBL27701627 0.90 AHR (0.95) AHRNR4A2CMA1F7LTA4H
Methane SCHEMBL27929624 0.90 AHR (0.95) AHRNR4A2CMA1F7LTA4H
SCHEMBL8185932 0.88 AHR (0.70) AHRNR4A2CMA1F7LTA4H
Indole SCHEMBL28309073 0.86 AHR (0.81) AHRNR4A2CMA1F7LTA4H

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-6849643-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-01 US disclosed
US-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-03-20 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-20030055097-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP3K1 AHR 3982/4885NR4A2 3494/4885CMA1 2867/4885

“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.