SCHEMBL1006250

SCHEMBL1006250

CC(COCC(=O)Cl)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACP3 P15309 3/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
BCHE P06276 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 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
SCHEMBL1006249 1.00 SIGMAR1 (0.51) SIGMAR1CYP2D6CYP2C9CYP2C19RECQL
SCHEMBL2483554 0.79 SIGMAR1 (0.59) SIGMAR1CYP2D6KMT2AALDH1A1POLB
SCHEMBL3550104 0.79 SIGMAR1 (0.59) SIGMAR1CYP2D6KMT2AALDH1A1POLB
SCHEMBL29156287 0.78 SIGMAR1 (0.54) SIGMAR1CYP2D6CYP2C9CYP2C19RECQL
SCHEMBL29156290 0.78 SIGMAR1 (0.54) SIGMAR1CYP2D6CYP2C9CYP2C19RECQL
SCHEMBL2454180 0.75 SIGMAR1 (0.50) SIGMAR1CYP2D6CYP2C9CYP2C19RECQL
SCHEMBL11876909 0.75 SIGMAR1 (0.50) SIGMAR1CYP2D6CYP2C9CYP2C19RECQL
SCHEMBL2852187 0.74 SIGMAR1 (0.61) SIGMAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL4849306 0.74 SIGMAR1 (0.61) SIGMAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL4855673 0.74 SIGMAR1 (0.61) SIGMAR1MEN1KMT2AALDH1A1MAPT

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-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A SIGMAR1 834/4885CYP2D6 310/4885CYP2C9 668/4885

“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.