SCHEMBL5148252

SCHEMBL5148252

O=[N+]([O-])/C=C/c1c[nH]c2cc(Oc3ccccc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 6/20 0.55
TLR2 O60603 6/20 0.55
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TERT O14746 1/20 0.41
CHEK1 O14757 1/20 0.41
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
RXRA P19793 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
FBP1 P09467 1/20 0.39

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
SCHEMBL5148253 1.00 TLR4 (0.55) TLR4TLR2KDM4EALDH1A1MAPT
SCHEMBL2537403 0.83 MAOA (0.57) TLR4TLR2KDM4EALDH1A1MAPT
SCHEMBL2537404 0.83 MAOA (0.57) TLR4TLR2KDM4EALDH1A1MAPT
SCHEMBL2536633 0.83 MAPT (0.63) KDM4EALDH1A1MAPTFBP1
SCHEMBL2536634 0.83 MAPT (0.63) KDM4EALDH1A1MAPTFBP1
SCHEMBL29637948 0.83 MAPT (0.63) KDM4EALDH1A1MAPTFBP1
SCHEMBL2537812 0.81 IMPDH2 (0.44) TLR4TLR2ALDH1A1MAPTCHEK1
SCHEMBL2537810 0.81 IMPDH2 (0.44) TLR4TLR2ALDH1A1MAPTCHEK1
SCHEMBL2537557 0.80 ALDH1A1 (0.66) KDM4EALDH1A1MAPTCHEK1FGFR1
SCHEMBL2537413 0.79 FEN1 (0.41) TLR4TLR2ALDH1A1MAPTRXRA

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
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 (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-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B TLR4 2004/4885TLR2 942/4885KDM4E 1970/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B TLR4 2004/4885TLR2 942/4885KDM4E 1970/4885

“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.