SCHEMBL4308079

SCHEMBL4308079

COC(=O)c1cccc2oc(CN3CCOCC3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
PIK3CB P42338 1/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
CXCR4 P61073 1/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL4305394 0.86 HTT (0.45) PIK3CBALDH1A1SMN1; SMN2MAPK1NPC1
SCHEMBL1005576 0.81 ALDH1A1 (0.46) TOP2APIK3CBALDH1A1SMN1; SMN2MAPK1
SCHEMBL1004911 0.80 HTR3A (0.59) TOP2APIK3CBALDH1A1MAPK1HSD17B10
SCHEMBL7721972 0.79 TOP2A (0.55) TOP2AHCRTR1HCRTR2ALDH1A1SMN1; SMN2
SCHEMBL4307487 0.78 TOP2A (0.54) TOP2AALDH1A1SMN1; SMN2MAPK1NPC1
SCHEMBL9178689 0.78 TOP2A (0.54) TOP2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL19149963 0.77 MAPK1 (0.49) HCRTR1HCRTR2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL4451169 0.77 HTR3A (0.47)
SCHEMBL4451174 0.76 HTR3A (0.72)
Hydrochloric Acid SCHEMBL4458011 0.76 HTR3A (0.46)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278301-B2 2-alkylbenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-02 US disclosed
US-20090227576-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-09-10 US disclosed
US-7553846-B2 2-alkylbenzoxazole carboxamides as 5-HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2009-06-30 US disclosed
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-09-04 US disclosed
WO-2008019363-A2 2-ALKYLBENZOXAZOLE 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 (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-20090227576-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A TOP2A 259/4885HCRTR1 414/4885HCRTR2 160/4885
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A TOP2A 259/4885HCRTR1 414/4885HCRTR2 160/4885

“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.