SCHEMBL25911014

SCHEMBL25911014

O=C(c1cc(Cl)ccc1O)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 7/20 0.52
ALDH1A1 P00352 4/20 0.48
KCNMA1 Q12791 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HDAC8 Q9BY41 1/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 3/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL25911009 0.91 PDK1 (0.56) PDK1ALDH1A1NPSR1HDAC8HTT
SCHEMBL25910975 0.87 PDK1 (0.48) PDK1ALDH1A1NPSR1HDAC8HTT
SCHEMBL25910983 0.86 KDM4E (0.52) PDK1ALDH1A1NPSR1HDAC8HTT
SCHEMBL25910996 0.86 ALDH1A1 (0.47) PDK1ALDH1A1NPSR1HDAC8HTT
SCHEMBL25910972 0.85 ALDH1A1 (0.53) PDK1ALDH1A1NPSR1HDAC8HTT
SCHEMBL25910976 0.85 ALDH1A1 (0.62) PDK1ALDH1A1NPSR1HDAC8HTT
SCHEMBL25911188 0.85 ALDH1A1 (0.51) PDK1ALDH1A1NPSR1HDAC8HTT
SCHEMBL25911033 0.85 ALDH1A1 (0.48) PDK1ALDH1A1NPSR1HDAC8HTT
SCHEMBL25911165 0.84 ALDH1A1 (0.49) PDK1ALDH1A1NPSR1HDAC8HTT
SCHEMBL25911190 0.84 ALDH1A1 (0.52) PDK1ALDH1A1NPSR1HDAC8HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2023-07-27 US disclosed
US-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2023-07-27 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 (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-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 TREH, BRIX1, GBA1 PDK1 1949/4885ALDH1A1 327/4885KCNMA1 1152/4885

“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.