SCHEMBL22627982

SCHEMBL22627982

C=C(CCNC(=O)c1cc(C)cc(C)n1)NC(=O)COc1ccc(Cl)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 12/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL22628045 0.89 RXFP1 (0.42) ATF4ALDH1A1RXFP1MEN1KMT2A
SCHEMBL25817460 0.88 ALDH1A1 (0.42) ATF4ALDH1A1RXFP1MEN1KMT2A
SCHEMBL22628192 0.87 ALDH1A1 (0.43) ATF4ALDH1A1RXFP1MEN1KMT2A
SCHEMBL22627706 0.87 ATF4 (0.42) ATF4ALDH1A1
SCHEMBL22628180 0.86 NPC1 (0.46) ATF4CYP1A2CYP3A4ALDH1A1RXFP1
SCHEMBL25804558 0.86 ALDH1A1 (0.42) ATF4ALDH1A1RXFP1
SCHEMBL22627670 0.86 ALDH1A1 (0.41) ATF4ALDH1A1RXFP1MEN1KMT2A
SCHEMBL22956230 0.85 ALDH1A1 (0.41) ATF4ALDH1A1RXFP1
SCHEMBL25802938 0.85 ALDH1A1 (0.44) ATF4ALDH1A1MEN1KMT2AHTT
SCHEMBL25810798 0.85 ATF4 (0.41) ATF4CYP1A2CYP3A4ALDH1A1

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
EP-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 — — EP disclosed
US-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 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-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885CYP1A2 2965/4885CYP3A4 3526/4885

“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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