SCHEMBL1004979

SCHEMBL1004979

COc1ccccc1Nc1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
FABP5 Q01469 1/20 0.48
KDM4E B2RXH2 2/20 0.46
APAF1 O14727 1/20 0.46
RECQL P46063 1/20 0.46
CASP6 P55212 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
MCL1 Q07820 1/20 0.46
CASP8 Q14790 1/20 0.46
TOP2A P11388 2/20 0.46
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
CDC25B P30305 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL1006335 0.91 TOP2A (0.51) KMT2AKDM4ETOP2AFLT1FLT4
SCHEMBL1005764 0.80 ALDH1A1 (0.52) KMT2AAKR1C3AKR1C2KDM4ETOP2A
SCHEMBL1005268 0.79 NPC1 (0.54) KMT2AFABP4TOP2AMAOBRAB9A
SCHEMBL2959889 0.78 TOP2A (0.61) KMT2AKDM4ETOP2AMEN1HTR3A
SCHEMBL1005664 0.76 HTR3A (0.54) KDM4ETOP2AMAOBHTR3AALDH1A1
SCHEMBL8224384 0.76 HTR3A (0.73) HTR3AKCNH2
SCHEMBL4919029 0.76 MAPT (0.50) KMT2AAKR1C3AKR1C2KDM4EFLT1
Hydrochloric Acid SCHEMBL1006685 0.76 HTR3A (0.72) HTR3AKCNH2
SCHEMBL12749633 0.75 NPC1 (0.61) KMT2AKDM4EFLT1FLT4KDR
SCHEMBL1003521 0.75 TOP2A (0.58) KMT2AKDM4ETOP2ARAB9ANPC1

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 KMT2A 2162/4885AKR1C3 3459/4885AKR1C2 4076/4885

“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.