SCHEMBL22927770

SCHEMBL22927770

CCOc1c(C(=O)O)nc(N(Cc2ccccc2)Cc2ccccc2)n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.41
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 4/20 0.38
TSHR P16473 3/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 4/20 0.37
GAA P10253 2/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS1 P23219 1/20 0.36
NPC1 O15118 1/20 0.36
TSPO P30536 1/20 0.36
APOBEC3A P31941 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL22927688 0.90 CYP19A1 (0.42) NR3C1ALDH1A1NPSR1TSHRMAPT
SCHEMBL22927731 0.90 MAPK1 (0.43) ALDH1A1NPSR1TSHRMAPTTP53
SCHEMBL22927861 0.85 KMT2A (0.40) ALDH1A1NPSR1TSHRMAPTTP53
SCHEMBL22927676 0.83 MAOB (0.51) ALDH1A1NPSR1TSHRMAPTTP53
SCHEMBL29434810 0.80 LMNA (0.43) ALDH1A1NPSR1TSHRMAPTTP53
SCHEMBL22927677 0.80 F10 (0.37) ALDH1A1NPSR1TSHRKMT2AMAPK1
SCHEMBL22927717 0.80 CASR (0.42) ALDH1A1TSHRKMT2AGAAMAPK1
SCHEMBL22927759 0.79 KMT2A (0.43) ALDH1A1MAPTTP53KMT2ASMN1; SMN2
SCHEMBL22927803 0.78 HDAC6 (0.38) ALDH1A1NPSR1TSHRMAPTLMNA
SCHEMBL22927760 0.78 KCNH2 (0.39) NPSR1LMNAKMT2AGAASMN1; SMN2

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 4 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

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 NR3C1 225/4885ALDH1A1 693/4885NPSR1 2924/4885

“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.