SCHEMBL2552082

SCHEMBL2552082

COc1c(C(=O)O)ccc(N)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HSD17B10 Q99714 3/20 0.42
HPGD P15428 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42

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
SCHEMBL25514821 0.85 ALDH1A1 (0.41) TDP1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL2081501 0.85 TDP1 (0.47) TDP1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL5387091 0.83 TDP1 (0.49) TDP1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL29443032 0.83 TDP1 (0.49) TDP1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL1919502 0.81 TDP1 (0.50) TDP1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL9539450 0.80 ALDH1A1 (0.46) TDP1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL11138435 0.80 IDO1 (0.42) TDP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1505827 0.80 TDP1 (0.61) TDP1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6474772 0.79 TDP1 (0.58) TDP1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL4309406 0.79 MAPT (0.62) TDP1ALDH1A1MAPTKDM4EHSD17B10

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 US disclosed
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 EP disclosed
CN-102892765-B Cyclohexylamine derivatives having beta 2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL SA 2015-04-29 CN disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 US disclosed
US-8883833-B2 Substituted benzoazole PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-11-11 US disclosed
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2014-09-18 US disclosed
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2013-05-02 US disclosed
EP-2556058-A1 RADIOPROTECTOR COMPOUNDS AND METHODS Peter MacCallum Cancer Institute (AU) 2013-02-13 EP disclosed
CN-102892765-A Novel cyclohexylamine derivatives having beta 2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL SA 2013-01-23 CN disclosed
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2012-08-16 US disclosed
EP-1037632-A4 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-08-21 EP disclosed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US disclosed
EP-1037632-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-09-27 EP disclosed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US disclosed
WO-1999024035-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-20 WO disclosed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed
EP-0055524-B1 BICYCLO (3,2,1) OCTYLBENZAMIDES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1984-10-17 EP disclosed
US-4410535-A ANTIEMETICS BEECHAM GROUP LIMITED (GB) 1983-10-18 US disclosed
EP-0055524-A2 Bicyclo (3,2,1) octylbenzamides, a process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1982-07-07 EP disclosed
EP-0042705-A1 Azabicycloalkane derivatives, their preparation and use BEECHAM GROUP PLC (GB) 1981-12-30 EP 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 (4 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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 TDP1 904/4885ALDH1A1 2148/4885MAPT 4881/4885
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A TDP1 408/4885ALDH1A1 330/4885MAPT 4489/4885
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A TDP1 408/4885ALDH1A1 330/4885MAPT 4489/4885
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS NR1H2, NR1H3, NR1I3 TDP1 2052/4885ALDH1A1 1707/4885MAPT 4678/4885

“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.