SCHEMBL21882009

SCHEMBL21882009

Clc1ccc2c(c1)NC[C@H](I)O2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.38
AHR P35869 3/20 0.35
ATF4 P18848 4/20 0.33
NISCH Q9Y2I1 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRA2A P08913 1/20 0.32
HTR2C P28335 1/20 0.32
CMA1 P23946 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHEK1 O14757 1/20 0.32

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
SCHEMBL23920087 0.86 AHR (0.35) AHRHTR2CCHRNB2CHRNA4CHEK1
SCHEMBL21882007 0.79 AKR1B1 (0.39) ADAMTS5AHRNISCHCYP1A2CYP3A4
SCHEMBL21621076 0.79 AHR (0.39) ADAMTS5AHRATF4NISCHKMT2A
SCHEMBL21882006 0.79 AKR1B1 (0.39) ADAMTS5AHRNISCHCYP1A2CYP3A4
SCHEMBL23920549 0.79 AHR (0.39) ADAMTS5AHRATF4NISCHKMT2A
SCHEMBL21882013 0.79 AKR1B1 (0.39) ADAMTS5AHRNISCHCYP1A2CYP3A4
SCHEMBL24997269 0.76 GBA1 (0.39) ADAMTS5HTR2C
SCHEMBL24997327 0.76 CA2 (0.40) ADAMTS5ATF4HTR2C
SCHEMBL22397074 0.76 ADAMTS5 (0.40) ADAMTS5ATF4CHEK1
SCHEMBL22397099 0.76 ADAMTS5 (0.40) ADAMTS5ATF4CHEK1

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-11166942-B2 Inhibitors of integrated stress response pathway Praxis Biotech LLC (US) 2021-11-09 US disclosed
US-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. 2021-10-14 US disclosed
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC 2020-04-02 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-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 ADAMTS5 4307/4885AHR 3302/4885ATF4 1/4885
US-11166942-B2 Inhibitors of integrated stress response pathway ATF4, DDIT3, ATF1 ADAMTS5 4307/4885AHR 3302/4885ATF4 1/4885
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 ADAMTS5 4307/4885AHR 3302/4885ATF4 1/4885

“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.