SCHEMBL419495

SCHEMBL419495

CN(Cc1ccccc1Oc1ccccc1)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.46
SLC6A2 P23975 5/20 0.46
HTR2A P28223 2/20 0.44
KCNH2 Q12809 1/20 0.44
BCHE P06276 7/20 0.41
ACHE P22303 7/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A3 Q01959 4/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL413455 0.88 ACHE (0.54) BCHEACHECHRM2CHRM1MEN1
SCHEMBL416231 0.87 BCHE (0.47) BCHEACHECHRM2CHRM1ALDH1A1
SCHEMBL416337 0.85 BCHE (0.43) BCHEACHECHRM2CHRM1ALDH1A1
SCHEMBL415638 0.85 ACHE (0.56) BCHEACHECHRM2CHRM1MEN1
SCHEMBL418210 0.84 ACHE (0.40) SLC6A4SLC6A2BCHEACHECHRM2
SCHEMBL419661 0.83 RAB9A (0.43) KCNH2BCHEACHECHRM2CHRM1
SCHEMBL414723 0.82 PLK1 (0.44) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL414368 0.82 ALDH1A1 (0.40) BCHEACHECHRM2CHRM1ALDH1A1
SCHEMBL414300 0.82 BCHE (0.48) BCHEACHEALDH1A1MEN1KMT2A
SCHEMBL411317 0.81 NPC1 (0.45) SLC6A4SLC6A2BCHEACHESLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US claimed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP claimed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 SLC6A4 3321/4885SLC6A2 3489/4885HTR2A 3460/4885

“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.