SCHEMBL4303871

SCHEMBL4303871

CCN(CC)Cc1nc2c(C(=O)OC)cccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.50
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
RIPK1 Q13546 1/20 0.40
KMT2A Q03164 2/20 0.39
ATM Q13315 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
HTR3A P46098 1/20 0.37
PKN1 Q16512 1/20 0.37

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
SCHEMBL7721972 0.85 TOP2A (0.55) TOP2AKDM4EMAPTALDH1A1HPGD
SCHEMBL9178689 0.84 TOP2A (0.54) TOP2AKDM4EMAPTALDH1A1HPGD
SCHEMBL4307487 0.82 TOP2A (0.54) TOP2AKDM4EMAPTALDH1A1HPGD
SCHEMBL27379841 0.81 TOP2A (0.51) TOP2AKDM4EMAPTALDH1A1HPGD
SCHEMBL1005843 0.79 TOP2A (0.51) TOP2AKDM4EMAPTALDH1A1HPGD
SCHEMBL1271524 0.76 SMN1; SMN2 (0.49) TOP2AKDM4EMAPTALDH1A1HPGD
SCHEMBL1398896 0.76 TOP2A (0.59) TOP2AKDM4EMAPTALDH1A1HPGD
SCHEMBL27755482 0.75 HTR3A (0.47) TOP2AKDM4EMAPTALDH1A1HPGD
SCHEMBL1005317 0.75 HTR3A (0.54) TOP2AKDM4EMAPTALDH1A1HPGD
SCHEMBL7440762 0.75 TOP2A (0.55) TOP2AKDM4EMAPTALDH1A1HPGD

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 259/4885KDM4E 2128/4885MAPT 3467/4885
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A TOP2A 259/4885KDM4E 2128/4885MAPT 3467/4885

“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.