SCHEMBL415251

SCHEMBL415251

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 3/20 0.41
POLB P06746 3/20 0.41
ALOX12 P18054 2/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL417839 0.92 MEN1 (0.41) ALDH1A1LMNASMN1; SMN2HTTPOLB
SCHEMBL419726 0.91 HTR2A (0.39) ALDH1A1LMNASMN1; SMN2HTTPOLB
SCHEMBL417455 0.88 ALDH1A1 (0.48) ALDH1A1LMNASLC6A4MEN1KMT2A
SCHEMBL415868 0.88 NPC1 (0.50) ALDH1A1LMNASMN1; SMN2SLC6A2SLC6A4
SCHEMBL415201 0.87 MAPT (0.41) ALDH1A1LMNAHTTPOLBHPGD
SCHEMBL415188 0.86 ACHE (0.54) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL414747 0.83 PDE4B (0.49) ALDH1A1LMNASMN1; SMN2HTTPOLB
SCHEMBL415495 0.82 NPC1 (0.45) SMN1; SMN2SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL417291 0.82 L3MBTL1 (0.39) ALDH1A1LMNAPOLBHPGDL3MBTL1
SCHEMBL416610 0.81 NPC1 (0.45) ALDH1A1LMNASMN1; SMN2POLBSLC6A2

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 ALDH1A1 455/4885LMNA 3529/4885SMN1; SMN2 4050/4885

“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.