SCHEMBL1005576

SCHEMBL1005576

COC(=O)c1cccc2oc(NCCN3CCOCC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.44
IDO1 P14902 1/20 0.44
TOP2A P11388 2/20 0.43
HTR3A P46098 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
AURKB Q96GD4 1/20 0.43
TRIM24 O15164 1/20 0.43

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
Hydrochloric Acid SCHEMBL1006490 0.87 HSD17B10 (0.46) ALDH1A1USP2TP53GLAHSD17B10
SCHEMBL4308079 0.81 TOP2A (0.47) ALDH1A1SMN1; SMN2GLAHSD17B10MAPK1
SCHEMBL1004894 0.80 TOP2A (0.50) ALDH1A1SMN1; SMN2GLAHSD17B10KDM4E
SCHEMBL1006492 0.79 HTR3A (0.71) HTR3ACYP2C19
SCHEMBL1005709 0.79 TOP2A (0.49) ALDH1A1POLBSMN1; SMN2GLAHSD17B10
SCHEMBL1005317 0.78 HTR3A (0.54) ALDH1A1SMN1; SMN2GLAHSD17B10MAPK1
Hydrochloric Acid SCHEMBL1006255 0.78 HTR3A (0.70) HTR3ACYP2C19
SCHEMBL1005286 0.78 TOP2A (0.48) ALDH1A1POLBGLAHSD17B10KDM4E
SCHEMBL1006044 0.78 TOP2A (0.48) ALDH1A1SMN1; SMN2GLAHSD17B10KDM4E
SCHEMBL1004911 0.77 HTR3A (0.59) ALDH1A1HSD17B10MAPK1KDM4ETOP2A

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 4 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
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A ALDH1A1 3092/4885POLB 1879/4885SMN1; SMN2 3429/4885

“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.