SCHEMBL23920087

SCHEMBL23920087

Clc1ccc2c(c1)O[C@@H](I)CN2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.35
MAP3K14 Q99558 1/20 0.33
HTR2C P28335 5/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
KLKB1 P03952 1/20 0.31
CHEK1 O14757 1/20 0.31
LIMK1 P53667 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
SCHEMBL21882009 0.86 ADAMTS5 (0.38) AHRHTR2CCHRNB2CHRNA4CHEK1
SCHEMBL22955689 0.79 AKR1B1 (0.39) AHRHTR2CCA2CA1
SCHEMBL23920083 0.79 AKR1B1 (0.39) AHRHTR2CCA2CA1
SCHEMBL23920182 0.79 AKR1B1 (0.39) AHRHTR2CCA2CA1
SCHEMBL28709156 0.77 KLKB1 (0.34) AHRMAP3K14HTR2CCHRNB2CHRNA4
SCHEMBL23014371 0.76 CA2 (0.40) AHRHTR2CCA2CA1KLKB1
SCHEMBL4968735 0.76 ABCC8 (0.34) AHRMAP3K14HTR2C
SCHEMBL29481447 0.76 CA2 (0.40) AHRHTR2CCA2CA1KLKB1
SCHEMBL22777699 0.74 POLB (0.44)
SCHEMBL23013290 0.74 ADAMTS5 (0.40) KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. 2021-10-14 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-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 AHR 3302/4885MAP3K14 157/4885HTR2C 1125/4885

“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.