SCHEMBL2539641

SCHEMBL2539641

O=[N+]([O-])/C=C/c1c[nH]c2c(Cl)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.53
TDO2 P48775 1/20 0.51
RXRA P19793 1/20 0.49
FBP1 P09467 4/20 0.42
DYRK1A Q13627 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 4/20 0.41
HTT P42858 3/20 0.41
ALOX12 P18054 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR4A2 P43354 1/20 0.40

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
SCHEMBL2539642 1.00 HSP90AA1 (0.53) HSP90AA1TDO2RXRAFBP1DYRK1A
SCHEMBL19651761 0.82 DNA2 (0.50) HSP90AA1RXRAFBP1DYRK1AMAPT
SCHEMBL2537021 0.82 RXRA (0.49) HSP90AA1RXRAFBP1MAPTALDH1A1
SCHEMBL2537020 0.82 RXRA (0.49) HSP90AA1RXRAFBP1MAPTALDH1A1
SCHEMBL2531585 0.80 HSP90AA1 (0.40) HSP90AA1TDO2RXRAFBP1MAPT
SCHEMBL2531588 0.80 HSP90AA1 (0.40) HSP90AA1TDO2RXRAFBP1MAPT
SCHEMBL2537636 0.79 PRMT1 (0.58) HSP90AA1RXRAFBP1DYRK1AMAPT
SCHEMBL2537633 0.79 PRMT1 (0.58) HSP90AA1RXRAFBP1DYRK1AMAPT
SCHEMBL2541206 0.79 MAPT (0.48) HSP90AA1RXRAFBP1DYRK1AMAPT
SCHEMBL2541208 0.79 MAPT (0.48) HSP90AA1RXRAFBP1DYRK1AMAPT

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 8 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-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

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 HSP90AA1 2896/4885TDO2 379/4885RXRA 4572/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HSP90AA1 2896/4885TDO2 379/4885RXRA 4572/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B HSP90AA1 2896/4885TDO2 379/4885RXRA 4572/4885

“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.