SCHEMBL24070144

SCHEMBL24070144

CCOC(=O)c1ncc(Br)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.47
BRD4 O60885 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX15 P16050 1/20 0.39
GPR35 Q9HC97 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LCK P06239 1/20 0.37
OPRK1 P41145 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL29323901 0.87 AAK1 (0.46) AAK1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL25910841 0.84 MKNK2 (0.44) BRD4POLBTSHRHSD17B10ALDH1A1
SCHEMBL30209740 0.84 BRD4 (0.41) AAK1BRD4NPSR1ALDH1A1CYP1A2
SCHEMBL24069253 0.84 BRD4 (0.41) AAK1BRD4NPSR1ALDH1A1CYP1A2
SCHEMBL24069233 0.83 BRD4 (0.40) AAK1BRD4NPSR1ALDH1A1CYP1A2
SCHEMBL30209746 0.83 BRD4 (0.40) AAK1BRD4NPSR1ALDH1A1CYP1A2
SCHEMBL12358958 0.83 AAK1 (0.44) AAK1SMN1; SMN2LCKMEN1KMT2A
SCHEMBL4900478 0.83 AAK1 (0.47) AAK1ALDH1A1LCKOPRK1MAPT
SCHEMBL2068048 0.80 AAK1 (0.48) AAK1SMN1; SMN2LCK
SCHEMBL13851061 0.80 BRD4 (0.42) BRD4NPSR1ALDH1A1MKNK2MAPT

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 3 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
CN-115867535-A Substituted benzamides as modulators of TREX1 星座制药公司 2023-03-28 CN disclosed
WO-2021243001-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. (US) 2021-12-02 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-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 TREH, BRIX1, GBA1 AAK1 3015/4885BRD4 399/4885NPSR1 3637/4885

“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.