SCHEMBL22927643

SCHEMBL22927643

CN(C)C(=O)c1ccc(C(=O)c2ccccc2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
SRD5A2 P31213 1/20 0.50
MAPT P10636 1/20 0.47
PDK1 Q15118 4/20 0.46
KDM4E B2RXH2 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL1018079 0.83 TSHR (0.53) ALDH1A1NPC1RAB9ASRD5A2PDK1
SCHEMBL27904103 0.83 SRD5A2 (0.64) ALDH1A1NPC1RAB9AMAPK13MAPK12
SCHEMBL3787476 0.83 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AMAPTPDK1
SCHEMBL28714550 0.82 KDM4E (0.68) ALDH1A1RAB9AMAPK13MAPK12MAPK11
SCHEMBL28719962 0.80 KDM4E (0.66) ALDH1A1RAB9AMAPK13MAPK12MAPK11
SCHEMBL5068843 0.79 SRD5A2 (0.68) ALDH1A1RAB9AMAPK13MAPK12MAPK11
SCHEMBL22927642 0.78 TSHR (0.55) ALDH1A1NPC1RAB9AMAPK13MAPK12
SCHEMBL29434760 0.78 SRD5A2 (0.53) ALDH1A1RAB9AMAPK13MAPK12MAPK11
SCHEMBL11233382 0.77 HPGD (0.64) ALDH1A1NPC1RAB9AMAPK13MAPK12
SCHEMBL10946377 0.77 SRD5A2 (0.49) ALDH1A1RAB9AMAPK13MAPK12MAPK11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289728-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS INC (US) 2022-09-15 US disclosed
EP-4003985-A1 MODULATORS OF TREX1 Constellation Pharmaceuticals, Inc. (US) 2022-06-01 EP disclosed
CN-114174290-A Modulators of TREX1 星座制药公司 2022-03-11 CN disclosed
WO-2021016317-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. (US) 2021-01-28 WO disclosed
WO-2021016317-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. (US) 2021-01-28 WO 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-20220289728-A1 MODULATORS OF TREX1 CFTR, SLC10A1, CYP27A1 ALDH1A1 693/4885NPC1 4/4885RAB9A 1079/4885

“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.