SCHEMBL2537412

SCHEMBL2537412

O=[N+]([O-])/C=C/c1c[nH]c2cc(S(=O)(=O)c3ccccc3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 1/20 0.41
▸ RXRA P19793 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ TDO2 P48775 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TLR4 O00206 1/20 0.38
▸ TLR2 O60603 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL2537413 1.00 FEN1 (0.41) FEN1RXRAFBP1TDO2MAPT
SCHEMBL2538128 0.90 HDAC3 (0.41) RXRAFBP1MAPTNPSR1CYP1A2
SCHEMBL2538134 0.90 HDAC3 (0.41) RXRAFBP1MAPTNPSR1CYP1A2
SCHEMBL2532983 0.84 TDO2 (0.41) RXRAFBP1TDO2MAPTNPSR1
SCHEMBL2532985 0.84 TDO2 (0.41) RXRAFBP1TDO2MAPTNPSR1
SCHEMBL2537812 0.82 IMPDH2 (0.44) RXRAFBP1TDO2MAPTNPSR1
SCHEMBL2537810 0.82 IMPDH2 (0.44) RXRAFBP1TDO2MAPTNPSR1
SCHEMBL30412249 0.79 CYP2A6 (0.56) RXRAFBP1MAPTNPSR1CYP1A2
SCHEMBL30345109 0.79 CYP2A6 (0.56) RXRAFBP1MAPTNPSR1CYP1A2
SCHEMBL4216615 0.79 CYP2A6 (0.56) RXRAFBP1MAPTNPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B FEN1 4178/4885RXRA 4572/4885FBP1 1595/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B FEN1 4178/4885RXRA 4572/4885FBP1 1595/4885

“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.

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