SCHEMBL2540530

SCHEMBL2540530

COc1cc(Br)c([N+](=O)[O-])cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
PKM P14618 2/20 0.49
MAPK1 P28482 4/20 0.48
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
ABCB1 P08183 3/20 0.43
ABCC1 P33527 3/20 0.43
TTR P02766 1/20 0.42
G6PD P11413 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL3273374 0.93 MAPT (0.47) MAPTPKMMAPK1ALDH1A1TDP1
SCHEMBL310903 0.86 MAPT (0.45) MAPTPKMMAPK1ALDH1A1TDP1
SCHEMBL25427390 0.85 ALDH1A1 (0.53) MAPTALDH1A1TDP1KDM4ECYP3A4
SCHEMBL228990 0.85 ALDH1A1 (0.58) MAPTPKMMAPK1ALDH1A1TDP1
SCHEMBL6371735 0.84 ALDH1A1 (0.48) MAPTALDH1A1TDP1KDM4ECYP3A4
SCHEMBL30230904 0.84 ALDH1A1 (0.48) MAPTPKMMAPK1ALDH1A1TDP1
SCHEMBL4279356 0.84 ALDH1A1 (0.48) MAPTPKMMAPK1ALDH1A1TDP1
SCHEMBL30954094 0.84 ALDH1A1 (0.48) MAPTALDH1A1TDP1KDM4ECYP3A4
SCHEMBL6117320 0.81 ALDH1A1 (0.46) MAPTMAPK1ALDH1A1TDP1KDM4E
SCHEMBL17038146 0.81 CYP1A2 (0.49) MAPTPKMMAPK1ALDH1A1TDP1

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
EP-1859798-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2015-12-30 EP disclosed
US-8044090-B2 N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor ELI LILLY (US) 2011-10-25 US disclosed
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2009-12-10 US disclosed
EP-1859798-A1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2007-11-28 EP disclosed
EP-1379239-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2007-09-12 EP disclosed
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR FILLA SANDRA A 2007-06-14 US disclosed
US-7230011-B2 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5ht6 receptor ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
EP-1377580-B1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2006-09-27 EP disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 US disclosed
US-20040102481-A1 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor FILLA SANDRA ANN (US) 2004-05-27 US disclosed
EP-1379239-A2 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
EP-1377580-A2 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-07 EP disclosed
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 WO disclosed
WO-2002060871-A2 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-08-08 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 (5 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-20040102481-A1 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor HTR6, HTR5A, TPH1 MAPT 3887/4885PKM 4017/4885MAPK1 1555/4885
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B MAPT 3701/4885PKM 3346/4885MAPK1 2731/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B MAPT 3701/4885PKM 3346/4885MAPK1 2731/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B MAPT 3701/4885PKM 3346/4885MAPK1 2731/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 MAPT 3743/4885PKM 3758/4885MAPK1 2138/4885

“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.