SCHEMBL21116612

SCHEMBL21116612

O=C(COc1ccc(F)cc1)NCCC(O)CC(=O)NCc1ccc(C(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL21116408 0.88 ATF4 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL21116448 0.88 ATF4 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL21116587 0.88 ATF4 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL24116797 0.82 ALDH1A1 (0.37) LMNASMN1; SMN2GAAALDH1A1TDP1
SCHEMBL20999748 0.75 ALDH1A1 (0.57) LMNASMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL21116979 0.75 ATF4 (0.43) ALDH1A1THRBMEN1KMT2AMAPT
SCHEMBL21116383 0.74 ATF4 (0.42) LMNASMN1; SMN2ALDH1A1TP53THRB
SCHEMBL2143239 0.74 ALDH1A1 (0.53) LMNASMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL24116645 0.74 ATF4 (0.44) LMNASMN1; SMN2GAAALDH1A1HPGD
SCHEMBL24116715 0.74 ATF4 (0.44) LMNASMN1; SMN2GAAALDH1A1HPGD

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
US-10836725-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2020-11-17 US disclosed
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2019-06-27 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 (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-10836725-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 LMNA 3376/4885SMN1; SMN2 2486/4885GAA 2139/4885
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 LMNA 3376/4885SMN1; SMN2 2486/4885GAA 2139/4885

“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.