SCHEMBL13041535

SCHEMBL13041535

CCC(=O)N(C)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 5/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 2/20 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
SCHEMBL21765854 0.89 KMT2A (0.43) ALDH1A1SMN1; SMN2TSHRMAPTHPGD
SCHEMBL13041510 0.85 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2TSHRGAAMAPT
SCHEMBL10258229 0.85 TP53 (0.43) ALDH1A1SMN1; SMN2TSHRMAPTKDM4E
SCHEMBL28347861 0.84 GSK3B (0.45) ALDH1A1SMN1; SMN2TSHRMAPTKDM4E
SCHEMBL7502077 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRMAPTKDM4E
SCHEMBL28508705 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRMAPTKDM4E
SCHEMBL10258046 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRMAPTHPGD
SCHEMBL28507452 0.82 ESR1 (0.42) ALDH1A1SMN1; SMN2TSHRGAAMAPT
SCHEMBL9546363 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRGAAMAPT
SCHEMBL21979072 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHRMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3921320-A1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BeiGene, Ltd. (KY) 2021-12-15 EP disclosed
WO-2020160711-A1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEIGENE, LTD. (KY) 2020-08-13 WO disclosed
US-20100280034-A1 Modulation of pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-7338969-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-03-04 US disclosed
US-20070208012-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-09-06 US disclosed
US-20070203128-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-30 US disclosed
US-20070197492-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070196340-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070184014-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-09 US disclosed
US-20070093534-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-04-26 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 (7 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-20070197492-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS ALDH1A1 4721/4885SMN1; SMN2 4710/4885TSHR 2025/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS ALDH1A1 4721/4885SMN1; SMN2 4710/4885TSHR 2025/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 ALDH1A1 3931/4885SMN1; SMN2 1924/4885TSHR 803/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS ALDH1A1 4721/4885SMN1; SMN2 4710/4885TSHR 2025/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 ALDH1A1 3931/4885SMN1; SMN2 1924/4885TSHR 803/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS ALDH1A1 4721/4885SMN1; SMN2 4710/4885TSHR 2025/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 ALDH1A1 3931/4885SMN1; SMN2 1924/4885TSHR 803/4885

“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.