SCHEMBL4307487

SCHEMBL4307487

COC(=O)c1cccc2oc(CCl)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.54
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
ATM Q13315 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
RIPK1 Q13546 1/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 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
SCHEMBL7721972 0.87 TOP2A (0.55) TOP2AKDM4EALDH1A1HPGDATM
SCHEMBL9178689 0.86 TOP2A (0.54) TOP2AKDM4EALDH1A1HPGDATM
SCHEMBL1271524 0.82 SMN1; SMN2 (0.49) TOP2AKDM4EALDH1A1HPGDKMT2A
SCHEMBL4303871 0.82 TOP2A (0.50) TOP2AKDM4EALDH1A1HPGDATM
SCHEMBL12900291 0.81 TOP2A (0.47) TOP2AKDM4EALDH1A1HPGDNPC1
SCHEMBL1005898 0.81 TOP2A (0.57) TOP2AKDM4EALDH1A1HPGDATM
SCHEMBL1398896 0.80 TOP2A (0.59) TOP2AKDM4EALDH1A1HPGDATM
SCHEMBL7440762 0.79 TOP2A (0.55) TOP2AKDM4EALDH1A1HPGDATM
SCHEMBL1004337 0.78 TOP2A (0.57) TOP2AKDM4EALDH1A1HPGDATM
SCHEMBL1121666 0.78 TOP2A (0.57) TOP2AKDM4EALDH1A1HPGDATM

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 2128/4885ALDH1A1 2735/4885
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A TOP2A 259/4885KDM4E 2128/4885ALDH1A1 2735/4885

“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.