SCHEMBL1007687

SCHEMBL1007687

COC(=O)c1cccc2oc(Nc3ccc(OC)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
MAOB P27338 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
GSK3B P49841 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 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
SCHEMBL1005764 0.90 ALDH1A1 (0.52) TOP2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1003521 0.89 TOP2A (0.58) TOP2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1004385 0.86 TOP2A (0.50) TOP2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1005701 0.80 TOP2A (0.56) TOP2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL30194832 0.80 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL2954779 0.80 TOP2A (0.70) TOP2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1006335 0.80 TOP2A (0.51) TOP2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1005317 0.77 HTR3A (0.54) TOP2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1006456 0.76 HTR3A (0.75)
SCHEMBL8664917 0.75 TOP2A (0.64) TOP2ASMN1; SMN2NPC1RAB9AALDH1A1

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 TOP2A 323/4885SMN1; SMN2 3429/4885NPC1 4186/4885

“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.