SCHEMBL414627

SCHEMBL414627

COC(=O)c1ccc(SCCCC(=O)N(C)Cc2cc(F)ccc2OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL415495 0.92 NPC1 (0.45) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL414460 0.90 ACHE (0.51) MEN1KMT2ARAB9ABCHEACHE
SCHEMBL415294 0.89 MEN1 (0.42) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL415868 0.89 NPC1 (0.50) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL414383 0.89 LMNA (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL417531 0.88 POLB (0.43) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL415201 0.88 MAPT (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL417291 0.88 L3MBTL1 (0.39) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL414150 0.87 MEN1 (0.41) MEN1KMT2ANPC1RAB9ABCHE
SCHEMBL417990 0.85 LMNA (0.43) MEN1KMT2ANPC1RAB9ABCHE

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 MEN1 4868/4885KMT2A 2843/4885NPC1 76/4885

“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.