SCHEMBL22617249

SCHEMBL22617249

O=C(NC12CC(NC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)(C1)C2)c1cnn(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.41
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ PRMT5 O14744 2/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ TNKS O95271 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ ALKBH2 Q6NS38 1/20 0.36
▸ EIF4A3 P38919 1/20 0.35
▸ ADAMTS7 Q9UKP4 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34

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
SCHEMBL29495390 1.00 MAPK8 (0.41) MAPK8PTGDR2PRMT5NPC1MAPT
SCHEMBL29495415 0.88 ATF4 (0.33) MAPK8PRMT5NPC1MAPTRAB9A
SCHEMBL22617387 0.88 ATF4 (0.33) MAPK8PRMT5NPC1MAPTRAB9A
SCHEMBL24043473 0.88 ATF4 (0.33) MAPK8PRMT5NPC1MAPTRAB9A
SCHEMBL22622022 0.88 TNKS (0.37) MAPK8PTGDR2PRMT5NPC1MAPT
SCHEMBL27019003 0.86 MAPK8 (0.43) MAPK8PTGDR2PRMT5NPC1MAPT
SCHEMBL22617443 0.86 ATF4 (0.35) ATF4
SCHEMBL29495383 0.86 ATF4 (0.35) ATF4
SCHEMBL22613841 0.82 ATF4 (0.38) NPC1MAPTRAB9ANFKB1NFKB2
SCHEMBL22614525 0.82 ATF4 (0.38) NPC1MAPTRAB9ANFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-01-18 — — US disclosed
US-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-01-18 — — US disclosed
US-20210363136-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-11-25 — — US disclosed
US-20210363136-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-11-25 — — US disclosed
WO-2020223536-A1 SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2020-11-05 — — WO disclosed
WO-2020223536-A1 SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2020-11-05 — — WO 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 (2 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-20210363136-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 MAPK8 114/4885PTGDR2 1818/4885PRMT5 2592/4885
US-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 MAPK8 114/4885PTGDR2 1818/4885PRMT5 2592/4885

“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.

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