SCHEMBL416610

SCHEMBL416610

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSPO P30536 2/20 0.36

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
SCHEMBL412612 0.93 TDP1 (0.40) NPC1RAB9ATDP1ALDH1A1BCHE
SCHEMBL415868 0.92 NPC1 (0.50) NPC1RAB9AALDH1A1LMNABCHE
SCHEMBL415495 0.87 NPC1 (0.45) NPC1RAB9ATDP1BCHEACHE
SCHEMBL418468 0.85 BCHE (0.43) NPC1RAB9ATDP1ALDH1A1LMNA
SCHEMBL414383 0.84 LMNA (0.47) NPC1RAB9ATDP1ALDH1A1LMNA
SCHEMBL415294 0.84 MEN1 (0.42) NPC1RAB9ATDP1BCHEACHE
SCHEMBL417291 0.83 L3MBTL1 (0.39) NPC1RAB9ATDP1ALDH1A1LMNA
SCHEMBL417531 0.83 POLB (0.43) NPC1RAB9ATDP1BCHEACHE
SCHEMBL415201 0.83 MAPT (0.41) NPC1RAB9AALDH1A1LMNABCHE
SCHEMBL419726 0.83 HTR2A (0.39) ALDH1A1LMNABCHEACHESLC6A2

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 3 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 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 NPC1 76/4885RAB9A 646/4885TDP1 4076/4885

“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.