SCHEMBL414368

SCHEMBL414368

COCc1ccccc1CN(C)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
BCHE P06276 7/20 0.39
ACHE P22303 7/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LTB4R2 Q9NPC1 1/20 0.35

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 0.87 ACHE (0.54) BCHEACHECHRM2CHRM1LMNA
SCHEMBL419661 0.87 RAB9A (0.43) ALDH1A1BCHEACHECHRM2CHRM1
SCHEMBL414300 0.86 BCHE (0.48) ALDH1A1BCHEACHELMNARAB9A
SCHEMBL417466 0.85 L3MBTL1 (0.42) ALDH1A1LMNAKMT2ALTB4R2
SCHEMBL411317 0.85 NPC1 (0.45) ALDH1A1BCHEACHERAB9ANPC1
SCHEMBL415391 0.85 ALDH1A1 (0.40) ALDH1A1BCHEACHECHRM2CHRM1
SCHEMBL416332 0.85 BCHE (0.49) ALDH1A1BCHEACHELMNARAB9A
SCHEMBL415110 0.85 TDP1 (0.48) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL413187 0.85 L3MBTL1 (0.41) ALDH1A1BCHEACHECHRM2CHRM1
SCHEMBL416231 0.84 BCHE (0.47) ALDH1A1BCHEACHECHRM2CHRM1

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 ALDH1A1 455/4885BCHE 3039/4885ACHE 4296/4885

“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.