SCHEMBL3614565

SCHEMBL3614565

COc1ccc2nc(-c3ccc(NC(C)=O)c([N+](=O)[O-])c3)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
DYRK1A Q13627 1/20 0.57
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 2/20 0.53
LMNA P02545 1/20 0.53
SCD O00767 1/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
APP P05067 4/20 0.51

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
SCHEMBL920818 0.86 NPC1 (0.48) RAB9ANPC1SMN1; SMN2HTTDYRK1A
SCHEMBL31540156 0.86 NPC1 (0.48) RAB9ANPC1SMN1; SMN2HTTDYRK1A
SCHEMBL3618377 0.85 PIK3CA (0.49) RAB9ANPC1SMN1; SMN2CYP3A4KMT2A
SCHEMBL7104770 0.84 TP53 (0.67) RAB9ANPC1SMN1; SMN2DYRK1AKMT2A
SCHEMBL14611315 0.82 DYRK1A (0.57) RAB9ANPC1SMN1; SMN2HTTCYP1A2
SCHEMBL3612693 0.81 APP (0.53) RAB9ANPC1SMN1; SMN2HTTCYP1A2
SCHEMBL8536132 0.81 APP (0.63) RAB9ACYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL11972685 0.80 APP (0.58) RAB9AKMT2AMEN1GAAAPP
SCHEMBL1983051 0.80 APP (0.58) RAB9AKMT2AMEN1GAAAPP
SCHEMBL8784838 0.79 RAB9A (0.69) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9468694-B2 Fluorination process GE HEALTHCARE LIMITED (GB) 2016-10-18 US disclosed
US-9468694-B2 Fluorination process GE HEALTHCARE LIMITED (GB) 2016-10-18 US disclosed
US-20150328344-A1 Fluorination Process GE HEALTHCARE AS (NO) 2015-11-19 US disclosed
US-20150328344-A1 Fluorination Process GE HEALTHCARE AS (NO) 2015-11-19 US disclosed
CN-102731432-B The fluorination process of anilid derivative and the benzothiazole fluorinated derivatives as in-vivo imaging agent GE HEALTHCARE LTD. (GB) 2015-10-21 CN disclosed
US-9126961-B2 Fluorination process GE HEALTHCARE LIMITED (GB) 2015-09-08 US disclosed
US-9126961-B2 Fluorination process GE HEALTHCARE LIMITED (GB) 2015-09-08 US disclosed
EP-1915330-B1 FLUORINATION PROCESS OF ANILIDE DERIVATIVES AND BENZOTHIAZOLE FLUORINATE DERIVATIVES AS IN VIVO IMAGING AGENTS GE HEALTHCARE LTD (GB) 2014-12-10 EP disclosed
CN-101282920-B Method for fluorination of anilide derivatives and benzothiazole fluorinated derivatives as in vivo imaging agents GE HEALTHCARE LTD 2014-06-04 CN disclosed
US-20130225829-A1 FLUORINATION PROCESS GE HEALTHCARE AS (NO) 2013-08-29 US disclosed
US-20130225829-A1 FLUORINATION PROCESS GE HEALTHCARE AS (NO) 2013-08-29 US disclosed
US-8410312-B2 Fluorination process of anilide derivatives and benzothiazole fluorinate derivatives as in vivo imaging agents GE HEALTHCARE LIMITED (GB) 2013-04-02 US disclosed
US-8410312-B2 Fluorination process of anilide derivatives and benzothiazole fluorinate derivatives as in vivo imaging agents GE HEALTHCARE LIMITED (GB) 2013-04-02 US disclosed
US-8410312-B2 Fluorination process of anilide derivatives and benzothiazole fluorinate derivatives as in vivo imaging agents GE HEALTHCARE LIMITED (GB) 2013-04-02 US disclosed
US-20100234611-A1 Fluorination Process of Anilide Derivatives and Benzothiazole Fluorinate Derivatives as in VIVO Imaging Agents GE HEALTHCARE LIMITED (GB) 2010-09-16 US disclosed
US-20100234611-A1 Fluorination Process of Anilide Derivatives and Benzothiazole Fluorinate Derivatives as in VIVO Imaging Agents GE HEALTHCARE LIMITED (GB) 2010-09-16 US disclosed
US-20100234611-A1 Fluorination Process of Anilide Derivatives and Benzothiazole Fluorinate Derivatives as in VIVO Imaging Agents GE HEALTHCARE LIMITED (GB) 2010-09-16 US disclosed
EP-1915330-A1 FLUORINATION PROCESS OF ANILIDE DERIVATIVES AND BENZOTHIAZOLE FLUORINATE DERIVATIVES AS IN VIVO IMAGING AGENTS GE Healthcare Limited (GB) 2008-04-30 EP disclosed
WO-2007020400-A1 FLUORINATION PROCESS OF ANILIDE DERIVATIVES AND BENZOTHIAZOLE FLUORINATE DERIVATIVES AS IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2007-02-22 WO disclosed
WO-2007020400-A1 FLUORINATION PROCESS OF ANILIDE DERIVATIVES AND BENZOTHIAZOLE FLUORINATE DERIVATIVES AS IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2007-02-22 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 (3 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-20150328344-A1 Fluorination Process CYP2F1, C1R, C1S RAB9A 25/4885NPC1 351/4885SMN1; SMN2 4627/4885
US-20100234611-A1 Fluorination Process of Anilide Derivatives and Benzothiazole Fluorinate Derivatives as in VIVO Imaging Agents Q6ZSR9, AFF1, F9 RAB9A 45/4885NPC1 1014/4885SMN1; SMN2 4448/4885
US-20130225829-A1 FLUORINATION PROCESS CYP2F1, C1R, C1S RAB9A 25/4885NPC1 351/4885SMN1; SMN2 4627/4885

“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.