SCHEMBL1005524

SCHEMBL1005524

CSc1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MAOB P27338 2/20 0.46
IDO1 P14902 1/20 0.46
MAOA P21397 1/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TOP2A P11388 2/20 0.43
ALDH1A1 P00352 2/20 0.42
F2RL3 Q96RI0 1/20 0.40
ELANE P08246 2/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA3 P07451 1/20 0.37
TSHR P16473 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 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
SCHEMBL496431 0.79 MAOB (0.49) MAOBIDO1MAOAMEN1KMT2A
SCHEMBL1005419 0.78 HTR3A (0.53) MAOBIDO1MAOAMEN1NPC1
SCHEMBL2955256 0.77 MYC (0.49) TDP1MAOBIDO1MAOAMEN1
SCHEMBL4791688 0.77 MAOB (0.50) MAOBIDO1MAOAMEN1NPC1
SCHEMBL2761750 0.77 TDP1 (0.54) TDP1ALDH1A1F2RL3ELANEKDM4E
SCHEMBL5119011 0.76 TOP2A (0.48) MAOBIDO1MAOAMEN1KMT2A
SCHEMBL28926584 0.76 TOP2A (0.59) MAOBIDO1MAOAMEN1NPC1
SCHEMBL9266873 0.76 MAOB (0.49) MAOBIDO1MAOAMEN1NPC1
SCHEMBL29878654 0.76 MAOB (0.49) MAOBIDO1MAOAMEN1NPC1
SCHEMBL3990631 0.76 MAOB (0.56) MAOBIDO1MAOATOP2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528225-B 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RES INC 2013-07-17 CN disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
CN-101528225-A 2-aminobenzoxazole carboxamides as 5HT3 modulators AMR TECHNOLOGY INC (US) 2009-09-09 CN 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
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 US disclosed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 US disclosed
WO-2002079753-A2 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-10 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-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof BCAT2, IL4I1, BCAT1 TDP1 3232/4885MAOB 245/4885IDO1 66/4885
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A TDP1 4081/4885MAOB 91/4885IDO1 43/4885

“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.