SCHEMBL3612693

SCHEMBL3612693

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
SULT1A1 P50225 1/20 0.49
RAB9A P51151 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SCD O00767 1/20 0.47
NPC1 O15118 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
DYRK1A Q13627 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SNCA P37840 1/20 0.45
POLB P06746 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL28029866 0.84 APP (0.53) APPGLAGAASULT1A1RAB9A
SCHEMBL3614565 0.81 RAB9A (0.57) APPGAASULT1A1RAB9AMEN1
SCHEMBL8536132 0.80 APP (0.63) APPGLAGAASULT1A1RAB9A
SCHEMBL9396448 0.79 POLB (0.55) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL11972685 0.79 APP (0.58) APPGLAGAASULT1A1RAB9A
SCHEMBL1983051 0.79 APP (0.58) APPGLAGAASULT1A1RAB9A
SCHEMBL2195686 0.78 SCD (0.54) APPGLAGAARAB9AMEN1
SCHEMBL13853571 0.77 APP (0.67) APPGLAGAASULT1A1SCD
SCHEMBL1982639 0.76 APP (0.66) APPGLAGAASULT1A1SCD
SCHEMBL1986918 0.76 APP (0.56) APPGLAGAASULT1A1RAB9A

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 21 patents — showing the first 20. 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-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
US-20150328344-A1 Fluorination Process GE HEALTHCARE AS (NO) 2015-11-19 US 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
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
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

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 APP 1584/4885GLA 1415/4885GAA 1685/4885
US-20100234611-A1 Fluorination Process of Anilide Derivatives and Benzothiazole Fluorinate Derivatives as in VIVO Imaging Agents Q6ZSR9, AFF1, F9 APP 2690/4885GLA 3038/4885GAA 1921/4885
US-20130225829-A1 FLUORINATION PROCESS CYP2F1, C1R, C1S APP 1584/4885GLA 1415/4885GAA 1685/4885

“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.