SCHEMBL21116381

SCHEMBL21116381

CC1(C(=O)NCCOc2cccc(F)c2)C=C(NC(=O)COc2ccc(Cl)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ PPARD Q03181 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ CETP P11597 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GPR34 Q9UPC5 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 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
SCHEMBL21116984 0.91 DRD2 (0.44) TP53THRBKDM4EKMT2AMEN1
SCHEMBL21116634 0.90 PPARD (0.55) PPARDKMT2AMEN1MAPK1ALDH1A1
SCHEMBL21116592 0.90 KMT2A (0.47) KDM4EKMT2AMEN1ATMNPSR1
SCHEMBL21116380 0.86 NPC1 (0.53) THRBKDM4EKMT2AMEN1ATM
SCHEMBL24116652 0.85 ALDH1A1 (0.50) THRBMAPK1ALDH1A1TSHRPOLB
SCHEMBL20999171 0.83 ATF4 (0.47) TP53THRBKDM4ECETPKMT2A
SCHEMBL19577393 0.79 ATF4 (0.56) TP53THRBPPARDKDM4EALDH1A1
SCHEMBL23263724 0.75 CETP (0.43) TP53THRBCETPKMT2AMEN1
SCHEMBL20999620 0.74 ATF4 (0.50) TP53KMT2AMEN1NPSR1ALDH1A1
SCHEMBL22669132 0.72 ATF4 (0.53) TP53THRBKMT2AMEN1NPSR1

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 TP53 3361/4885THRB 1462/4885PPARD 1954/4885
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 TP53 3361/4885THRB 1462/4885PPARD 1954/4885
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 TP53 3361/4885THRB 1462/4885PPARD 1954/4885

“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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