SCHEMBL22612447

SCHEMBL22612447

O=C(COc1ccc2c(c1)OC(F)(F)O2)NC1CCC(N2CCN(c3ccc(C(F)F)cn3)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.39
▸ ATF4 P18848 4/20 0.38
▸ HPGD P15428 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 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
SCHEMBL22397220 1.00 SMYD3 (0.39) SMYD3ATF4HPGDHTTRAB9A
SCHEMBL22612430 0.87 ATF4 (0.46) ATF4HPGDHTTRAB9ALMNA
SCHEMBL22612432 0.87 ATF4 (0.46) ATF4HPGDHTTRAB9ALMNA
SCHEMBL22612443 0.85 ATF4 (0.56) ATF4LMNA
SCHEMBL22612446 0.85 ATF4 (0.56) ATF4LMNA
SCHEMBL22612387 0.83 LIPE (0.49) ATF4LMNAKMT2AMEN1MCHR1
SCHEMBL22612385 0.83 LIPE (0.49) ATF4LMNAKMT2AMEN1MCHR1
SCHEMBL22612392 0.82 KMT2A (0.40) ATF4HPGDHTTRAB9ALMNA
SCHEMBL22612391 0.82 KMT2A (0.40) ATF4HPGDHTTRAB9ALMNA
SCHEMBL22612365 0.78 GRM5 (0.36) SCN9AACACB

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
CN-112218851-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-12 — — CN disclosed
US-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2020-11-05 — — US disclosed
US-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2020-11-05 — — 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-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, IRF3 SMYD3 4221/4885ATF4 1/4885HPGD 496/4885

“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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