SCHEMBL3604124

SCHEMBL3604124

O=C(Nc1ccc(O)cc1)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.74
MEN1 O00255 6/20 0.74
ALDH1A1 P00352 4/20 0.70
KDM4E B2RXH2 1/20 0.70
MAPT P10636 7/20 0.68
NPSR1 Q6W5P4 3/20 0.68
LMNA P02545 2/20 0.68
MAPK1 P28482 2/20 0.68
POLB P06746 1/20 0.68
XBP1 P17861 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.67
HPGD P15428 1/20 0.67
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
VCAM1 P19320 1/20 0.59
HTT P42858 1/20 0.58
MITF O75030 1/20 0.57
RECQL P46063 1/20 0.57
ALPL P05186 1/20 0.57

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
SCHEMBL1454119 0.88 KMT2A (0.73) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL1455800 0.88 KMT2A (0.73) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL1455196 0.88 KMT2A (0.73) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL27942800 0.87 KMT2A (0.72) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL1455286 0.87 KMT2A (0.90) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL10388703 0.85 KMT2A (0.70) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL12218210 0.85 KMT2A (0.70) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL5390788 0.85 KMT2A (0.69) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL3619864 0.84 MAPT (0.61) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL6929407 0.82 KMT2A (0.69) KMT2AMEN1ALDH1A1KDM4EMAPT

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 16 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
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-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
CN-101282920-A Method for fluorination of anilide derivatives and benzothiazole fluorinated derivatives as in vivo imaging agents GE HEALTHCARE LTD (GB) 2008-10-08 CN 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 KMT2A 1861/4885MEN1 46/4885ALDH1A1 1369/4885
US-20100234611-A1 Fluorination Process of Anilide Derivatives and Benzothiazole Fluorinate Derivatives as in VIVO Imaging Agents Q6ZSR9, AFF1, F9 KMT2A 1522/4885MEN1 69/4885ALDH1A1 382/4885
US-20130225829-A1 FLUORINATION PROCESS CYP2F1, C1R, C1S KMT2A 1861/4885MEN1 46/4885ALDH1A1 1369/4885

“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.