SCHEMBL2961273

SCHEMBL2961273

O=C(O)c1c(Br)ccc2oc(-c3ccccc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.49
RAB9A P51151 6/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.46
TOP2A P11388 1/20 0.44
RCE1 Q9Y256 1/20 0.43
NPC1 O15118 4/20 0.42
KDM4E B2RXH2 4/20 0.42
POLB P06746 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.40
DHODH Q02127 1/20 0.40
CASP3 P42574 3/20 0.40
SENP7 Q9BQF6 3/20 0.40
SENP6 Q9GZR1 3/20 0.40
SENP8 Q96LD8 2/20 0.40
HPGD P15428 2/20 0.40
IKBKB O14920 1/20 0.40
PTPN1 P18031 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL2964419 0.76 DHODH (0.52) SMN1; SMN2RAB9AHIF1AHDAC6TOP2A
SCHEMBL121325 0.75 TOP2A (0.65) SMN1; SMN2RAB9AHIF1AHDAC6TOP2A
SCHEMBL2954868 0.75 RAB9A (0.54) SMN1; SMN2RAB9AHIF1AHDAC6TOP2A
SCHEMBL22085386 0.74 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AHIF1AHDAC6TOP2A
SCHEMBL29972750 0.74 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AHIF1AHDAC6TOP2A
SCHEMBL2960005 0.74 HTR3A (0.52)
SCHEMBL206175 0.72 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL17281514 0.72 RCE1 (0.56) SMN1; SMN2RAB9AHIF1AHDAC6TOP2A
SCHEMBL31540288 0.72 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AHIF1AHDAC6TOP2A
SCHEMBL205351 0.71 TOP2A (0.53) SMN1; SMN2RAB9AHDAC6TOP2ANPC1

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-7781430-B2 Benzoxazole carboxamides for treating CINV and IBS-D ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-24 US disclosed
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2008-05-08 US disclosed
US-7307094-B2 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2007-12-11 US disclosed
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-17 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 (2 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-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D HTR3E, BRS3, HTR3A SMN1; SMN2 4403/4885RAB9A 3002/4885HIF1A 3561/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A SMN1; SMN2 4403/4885RAB9A 3002/4885HIF1A 3561/4885

“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.