SCHEMBL416307

SCHEMBL416307

CN(Cc1ccccc1O)C(=O)CCCSc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
AGTR1 P30556 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 4/20 0.38
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
RIPK1 Q13546 1/20 0.36
CXCR2 P25025 1/20 0.36
FOLH1 Q04609 1/20 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
SCHEMBL419661 0.90 RAB9A (0.43) RAB9AMEN1KMT2AALDH1A1TDP1
SCHEMBL416480 0.87 BCHE (0.48) RAB9AMEN1KMT2AALDH1A1TDP1
SCHEMBL412451 0.86 ACHE (0.54) RAB9AMEN1KMT2ATDP1LMNA
SCHEMBL415110 0.83 TDP1 (0.48) RAB9AMEN1KMT2AALDH1A1TDP1
SCHEMBL418468 0.83 BCHE (0.43) RAB9AMEN1KMT2AALDH1A1TDP1
SCHEMBL413866 0.83 RIPK1 (0.51) RAB9AALDH1A1TDP1AGTR1NPC1
SCHEMBL417118 0.83 BCHE (0.39) RAB9AALDH1A1TDP1AGTR1NPC1
SCHEMBL414607 0.82 ACHE (0.45) RAB9AALDH1A1TDP1LMNANPC1
SCHEMBL414273 0.82 BCHE (0.48) ALDH1A1LMNABCHEACHECHRM2
SCHEMBL2485768 0.82 BCHE (0.42) RAB9AKMT2AALDH1A1TDP1LMNA

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 RAB9A 646/4885MEN1 4868/4885KMT2A 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.