SCHEMBL413583

SCHEMBL413583

COc1ccc(F)c(CN(C)C(=O)CCCSc2ccc(F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
RIPK1 Q13546 1/20 0.40
THRB P10828 1/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 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
SCHEMBL413866 0.89 RIPK1 (0.51) NPC1RAB9AALDH1A1RIPK1THRB
SCHEMBL415868 0.87 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL415495 0.85 NPC1 (0.45) NPC1RAB9ASMN1; SMN2RIPK1BCHE
SCHEMBL418441 0.84 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL412451 0.82 ACHE (0.54) NPC1RAB9ALMNABCHEACHE
SCHEMBL416610 0.82 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL417990 0.82 LMNA (0.43) NPC1RAB9ALMNATHRBBCHE
SCHEMBL415201 0.82 MAPT (0.41) NPC1RAB9AALDH1A1LMNARIPK1
SCHEMBL417867 0.81 POLB (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL414373 0.81 NPC1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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 NPC1 76/4885RAB9A 646/4885SMN1; 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.