SCHEMBL416332

SCHEMBL416332

CN(Cc1ccccc1Cl)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
KMT2A Q03164 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HSP90AA1 P07900 1/20 0.38
NPC1 O15118 2/20 0.38
NPSR1 Q6W5P4 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
THRB P10828 1/20 0.35
PYCR1 P32322 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
SCHEMBL2485768 0.91 BCHE (0.42) BCHEACHEKMT2ARAB9AALDH1A1
SCHEMBL418204 0.91 BCHE (0.40) BCHEACHEKMT2ARAB9AMEN1
SCHEMBL416480 0.89 BCHE (0.48) BCHEACHEKMT2ARAB9AMEN1
SCHEMBL419661 0.88 RAB9A (0.43) BCHEACHEKMT2ARAB9AMEN1
SCHEMBL414300 0.87 BCHE (0.48) BCHEACHEKMT2ARAB9AMEN1
SCHEMBL414297 0.87 RAB9A (0.39) BCHEACHEKMT2ARAB9AMEN1
SCHEMBL412951 0.86 ERCC1 (0.46) KMT2ARAB9AMEN1ALDH1A1HTT
SCHEMBL415110 0.86 TDP1 (0.48) KMT2ARAB9AMEN1ALDH1A1NPC1
SCHEMBL415391 0.86 ALDH1A1 (0.40) BCHEACHEKMT2ARAB9AMEN1
SCHEMBL413187 0.86 L3MBTL1 (0.41) BCHEACHEKMT2ARAB9AMEN1

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 BCHE 3039/4885ACHE 4296/4885KMT2A 2843/4885

“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.