SCHEMBL2537636

SCHEMBL2537636

COc1cccc2c(C=C[N+](=O)[O-])c[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.58
RXRA P19793 1/20 0.46
ALDH1A1 P00352 6/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
ALOX12 P18054 1/20 0.44
NTSR1 P30989 1/20 0.44
CCR6 P51684 1/20 0.44
MCL1 Q07820 1/20 0.44
HTR2A P28223 1/20 0.44
VCP P55072 3/20 0.43
FBP1 P09467 2/20 0.43
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
MAPK1 P28482 3/20 0.42
HTT P42858 2/20 0.42
MITF O75030 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
SCHEMBL29103652 1.00 PRMT1 (0.58) PRMT1RXRAALDH1A1HPGDKDM4E
SCHEMBL2537633 1.00 PRMT1 (0.58) PRMT1RXRAALDH1A1HPGDKDM4E
SCHEMBL30740811 1.00 PRMT1 (0.58) PRMT1RXRAALDH1A1HPGDKDM4E
SCHEMBL14961120 0.86 MAPT (0.60) PRMT1RXRAALDH1A1HPGDKDM4E
SCHEMBL3214421 0.80 ALDH1A1 (0.44) PRMT1ALDH1A1MAPTLMNANPSR1
SCHEMBL3220008 0.80 ALDH1A1 (0.44) PRMT1ALDH1A1MAPTLMNANPSR1
SCHEMBL30561991 0.80 PIM1 (0.56) PRMT1RXRAALDH1A1HPGDKDM4E
SCHEMBL29264055 0.80 PIM1 (0.56) PRMT1RXRAALDH1A1HPGDKDM4E
SCHEMBL29264058 0.80 PIM1 (0.56) PRMT1RXRAALDH1A1HPGDKDM4E
SCHEMBL7859256 0.79 ALDH1A1 (0.46) PRMT1ALDH1A1HPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 CN disclosed
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-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
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 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
WO-2002078693-A2 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-10-10 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-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B PRMT1 2090/4885RXRA 4572/4885ALDH1A1 1218/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B PRMT1 2090/4885RXRA 4572/4885ALDH1A1 1218/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B PRMT1 2090/4885RXRA 4572/4885ALDH1A1 1218/4885

“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.