SCHEMBL414747

SCHEMBL414747

COc1ccc(C(=O)CCCC(=O)N(C)Cc2cc(Cl)ccc2OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.49
POLB P06746 4/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC1 Q13547 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL415251 0.83 ALDH1A1 (0.42) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL417286 0.81 SMN1; SMN2 (0.40) POLBMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL417560 0.76 ACHE (0.56) POLBKMT2AMEN1NPC1ALDH1A1
SCHEMBL419726 0.74 HTR2A (0.39) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL417839 0.74 MEN1 (0.41) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL4082864 0.73 PDE4B (0.86) PDE4BKMT2AMAPTNPC1HDAC8
SCHEMBL415868 0.70 NPC1 (0.50) KMT2AMEN1SMN1; SMN2NPC1LMNA
SCHEMBL417455 0.70 ALDH1A1 (0.48) KMT2AMEN1MAPTNPC1LMNA
SCHEMBL3171960 0.70 PDE4B (0.79) PDE4BKMT2AMAPTNPC1HDAC8
SCHEMBL415201 0.70 MAPT (0.41) POLBKMT2AMEN1MAPTNPC1

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 4 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
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

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 PDE4B 1326/4885POLB 444/4885KMT2A 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.