SCHEMBL21116401

SCHEMBL21116401

Cc1ccnc(CNC(=O)CC(O)CCNC(=O)COc2ccc(Cl)c(F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 10/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL21116979 0.89 ATF4 (0.43) ATF4ALDH1A1MAPTKMT2AMEN1
SCHEMBL24116662 0.88 SMN1; SMN2 (0.52) ATF4ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL21116989 0.88 ATF4 (0.44) ATF4ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL21116595 0.87 ATF4 (0.45) ATF4ALDH1A1
SCHEMBL21116451 0.86 HPGD (0.50) ATF4ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL24116885 0.86 KMT2A (0.48) ATF4ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL24116661 0.83 GAA (0.54) ATF4ALDH1A1KMT2AMEN1POLB
SCHEMBL24116628 0.82 ALDH1A1 (0.45) ATF4ALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL24116908 0.82 ATF4 (0.43) ATF4ALDH1A1
SCHEMBL21116594 0.82 LMNA (0.51) ATF4ALDH1A1SMN1; SMN2KMT2AMEN1

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-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-12-23 US disclosed
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 (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-10836725-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 ATF4 1/4885ALDH1A1 3433/4885MAPT 3293/4885
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885ALDH1A1 3433/4885MAPT 3293/4885
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885ALDH1A1 3433/4885MAPT 3293/4885

“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.