SCHEMBL21116591

SCHEMBL21116591

C=C(CCNC(=O)COc1ccc(Cl)c(F)c1)C(=O)NCc1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
NPY1R P25929 1/20 0.48
ALDH1A1 P00352 2/20 0.44
PPARD Q03181 1/20 0.43
ATF4 P18848 1/20 0.42
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL21116656 0.91 HTT (0.52) KMT2AMEN1NPY1RALDH1A1ATF4
SCHEMBL24322842 0.91 SGMS1 (0.47) ALDH1A1ATF4HTTSMN1; SMN2
SCHEMBL21117004 0.90 KMT2A (0.47) KMT2AMEN1ALDH1A1ATF4HTT
SCHEMBL24116960 0.88 TAOK1 (0.51) ALDH1A1ATF4SMN1; SMN2
SCHEMBL21116606 0.87 ATF4 (0.45) ALDH1A1ATF4HTTSMN1; SMN2LMNA
SCHEMBL21117003 0.87 MAPK14 (0.43) ALDH1A1ATF4HTT
SCHEMBL21116646 0.87 ATF4 (0.46) KMT2AMEN1ALDH1A1ATF4HTT
SCHEMBL24323059 0.86 GAA (0.53) KMT2AMEN1ALDH1A1ATF4HTT
SCHEMBL24322876 0.86 ATF4 (0.45) ALDH1A1ATF4HTTSMN1; SMN2LMNA
SCHEMBL24324507 0.86 LMNA (0.49) KMT2AMEN1ALDH1A1ATF4HTT

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 KMT2A 4320/4885MEN1 4714/4885NPY1R 2589/4885
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 KMT2A 4320/4885MEN1 4714/4885NPY1R 2589/4885

“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.