SCHEMBL25314747

SCHEMBL25314747

N#Cc1ccccc1C([Zn]Br)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 3/20 0.39
TRPA1 O75762 1/20 0.38
TSHR P16473 4/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SGMS2 Q8NHU3 1/20 0.31
KCNA5 P22460 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
USP8 P40818 1/20 0.30
USP7 Q93009 1/20 0.30
S1PR3 Q99500 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL8141416 0.76 TRPA1 (0.47) ALDH1A1L3MBTL1HPGDTRPA1TSHR
SCHEMBL30759997 0.76 TRPA1 (0.47) ALDH1A1L3MBTL1HPGDTRPA1TSHR
SCHEMBL4098531 0.75 ALDH1A1 (0.45) ALDH1A1L3MBTL1HPGDTRPA1TSHR
SCHEMBL1454020 0.73 DPP4 (0.41) TRPA1TSHRSLC6A2SLC6A4
SCHEMBL30522140 0.72 TSHR (0.47) ALDH1A1L3MBTL1HPGDTRPA1TSHR
SCHEMBL11603745 0.72 TSHR (0.47) ALDH1A1L3MBTL1HPGDTRPA1TSHR
Hydrochloric Acid SCHEMBL29434796 0.70 ALDH1A1 (0.41) ALDH1A1L3MBTL1HPGDTRPA1TSHR
SCHEMBL11414735 0.70 TSHR (0.44) ALDH1A1L3MBTL1HPGDTRPA1TSHR
SCHEMBL11613250 0.70 TSHR (0.44) ALDH1A1L3MBTL1HPGDTRPA1TSHR
SCHEMBL4078370 0.69 TSHR (0.48) ALDH1A1L3MBTL1HPGDTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4333985-B1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS INC (US) 2025-07-30 EP disclosed
US-20240262814-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2024-08-08 US disclosed
EP-4333985-A1 MODULATORS OF TREX1 Constellation Pharmaceuticals, Inc. (US) 2024-03-13 EP disclosed
CN-117561251-A Modulators of TREX1 星座制药公司 2024-02-13 CN disclosed
WO-2023137030-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. (US) 2023-07-20 WO disclosed
WO-2022235725-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. (US) 2022-11-10 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-20240262814-A1 MODULATORS OF TREX1 CFTR, SLC10A1, CYP27A1 ALDH1A1 693/4885L3MBTL1 3434/4885HPGD 735/4885

“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.