SCHEMBL1004753

SCHEMBL1004753

COc1cc(F)cc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
KDM4E B2RXH2 4/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TTR P02766 2/20 0.42
CDK2 P24941 1/20 0.41
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.37
TPMT P51580 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36

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
SCHEMBL25187742 0.83 PKM (0.45) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL8475972 0.83 PKM (0.63) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL16689288 0.79 PKM (0.76) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL7009750 0.79 PKM (0.58) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL31184710 0.79 PKM (0.46) PKMKDM4EPOLBTDP1L3MBTL1
SCHEMBL2435955 0.79 TTR (0.45) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL1056321 0.79 PKM (0.46) PKMKDM4EPOLBTDP1L3MBTL1
SCHEMBL11025037 0.79 PKM (0.48) PKMKDM4EPOLBCTDSP1TDP1
SCHEMBL31423850 0.78 PKM (0.45) PKMKDM4ETDP1TTRCDK2
SCHEMBL972269 0.78 PKM (0.41) PKMKDM4EPOLBCTDSP1TDP1

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
US-9682961-B2 Quinazoline derivative CARNA BIOSCIENCES, INC. (JP) 2017-06-20 US disclosed
US-9682961-B2 Quinazoline derivative CARNA BIOSCIENCES, INC. (JP) 2017-06-20 US disclosed
EP-3078660-A1 NOVEL QUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2016-10-12 EP disclosed
US-20160264555-A1 NOVEL QUINAZOLINE DERIVATIVE NATIONAL CANCER CENTER (JP) 2016-09-15 US disclosed
US-20160264555-A1 NOVEL QUINAZOLINE DERIVATIVE NATIONAL CANCER CENTER (JP) 2016-09-15 US disclosed
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 (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-20160264555-A1 NOVEL QUINAZOLINE DERIVATIVE WNT1, CTNNB1, CTNND1 PKM 3946/4885KDM4E 2190/4885POLB 2859/4885
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A PKM 2714/4885KDM4E 2017/4885POLB 1879/4885

“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.