SCHEMBL3199616

SCHEMBL3199616

CN(C)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
TSHR P16473 1/20 0.58
ALDH1A1 P00352 5/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
HCAR3 P49019 1/20 0.46
VCAM1 P19320 2/20 0.46
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
PDE7A Q13946 4/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 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
SCHEMBL30610948 0.85 ALDH1A1 (0.58) MAPK1TSHRALDH1A1NPSR1MAPT
SCHEMBL6816481 0.85 ALDH1A1 (0.58) MAPK1TSHRALDH1A1NPSR1MAPT
SCHEMBL29686179 0.82 TSHR (0.50) MAPK1TSHRALDH1A1NPSR1MAPT
SCHEMBL26118896 0.82 TSHR (0.50) MAPK1TSHRALDH1A1NPSR1MAPT
SCHEMBL3486787 0.82 TSHR (0.50) MAPK1TSHRALDH1A1NPSR1MAPT
SCHEMBL3486789 0.82 TSHR (0.50) MAPK1TSHRALDH1A1NPSR1MAPT
SCHEMBL9760432 0.80 TDP1 (0.62) MAPK1TSHRALDH1A1MAPTLMNA
SCHEMBL29686432 0.79 TSHR (0.47) MAPK1TSHRALDH1A1NPSR1MAPT
Water SCHEMBL11164211 0.79 TSHR (0.47) MAPK1TSHRALDH1A1NPSR1MAPT
SCHEMBL26114216 0.79 TSHR (0.47) MAPK1TSHRALDH1A1NPSR1MAPT

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 14 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
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
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US 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 (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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 MAPK1 1760/4885TSHR 168/4885ALDH1A1 1562/4885
US-20150328344-A1 Fluorination Process CYP2F1, C1R, C1S MAPK1 3080/4885TSHR 95/4885ALDH1A1 1369/4885
US-20100234611-A1 Fluorination Process of Anilide Derivatives and Benzothiazole Fluorinate Derivatives as in VIVO Imaging Agents Q6ZSR9, AFF1, F9 MAPK1 2569/4885TSHR 151/4885ALDH1A1 382/4885
US-20130225829-A1 FLUORINATION PROCESS CYP2F1, C1R, C1S MAPK1 3080/4885TSHR 95/4885ALDH1A1 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.