SCHEMBL491404

SCHEMBL491404

N#Cc1cc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.48
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
MCL1 Q07820 1/20 0.44
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
GRM5 P41594 2/20 0.41
MMP3 P08254 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NLRP3 Q96P20 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
ALOX5 P09917 1/20 0.40
ERBB2 P04626 1/20 0.40
PGR P06401 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL4446050 0.83 MAOA (0.64) AHRMAOAMAOBMCL1CYP1A2
SCHEMBL24017200 0.83 MMP3 (0.58) ALDH1A1MMP3TSHRPGR
SCHEMBL21302775 0.83 GRM5 (0.51) MAOAMAOBCYP1A2GRM5MMP3
SCHEMBL16918828 0.82 MMP3 (0.52) MAOAMAOBALDH1A1GRM5MMP3
SCHEMBL18002036 0.82 RXRA (0.59) KDM4EALDH1A1GAALMNAHTT
SCHEMBL25570087 0.81 CLK4 (0.52) CYP1A2LMNAMAPTHTTPGR
SCHEMBL9160072 0.80 AHR (0.68) AHRMAOBCYP1A2KDM4EALDH1A1
SCHEMBL20870330 0.79 GRM5 (0.50) CYP1A2ALDH1A1GRM5TSHRPGR
SCHEMBL1368559 0.79 GRM5 (0.50) CYP1A2ALDH1A1GRM5TSHRPGR
SCHEMBL1370340 0.78 GRM5 (0.54) MAOAMAOBCYP1A2ALDH1A1GRM5

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
EP-2016039-B1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO MCNEIL JANSSEN PHARM (US) 2012-08-01 EP disclosed
US-8106236-B2 Triaryl compounds and derivates thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-01-31 US disclosed
EP-1847524-B1 Terphenyl derivatives for treatment of Alzheimer's disease CELLZOME LTD (GB) 2009-10-14 EP disclosed
US-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-11-01 US disclosed
EP-1847524-A1 Terphenyl derivatives for treatment of Alzheimer's disease Cellzome (UK) Ltd. (GB) 2007-10-24 EP 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 (1 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-20070254957-A1 TRIARYL COMPOUNDS AND DERIVATES THEREOF BACE1, BACE2, APP AHR 1331/4885MAOA 912/4885MAOB 994/4885

“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.