SCHEMBL418454

SCHEMBL418454

COC(=O)c1ccccc1SCCCC(=O)N1CCc2ccc(OC)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 4/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 2/20 0.46
BIRC2 Q13490 1/20 0.45
NOTUM Q6P988 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
MAOB P27338 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL413397 0.92 RAB9A (0.46) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL413454 0.87 MAPT (0.50) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL417533 0.87 MAPT (0.50) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL2484791 0.86 MAPT (0.41) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL417754 0.85 MAPT (0.48) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL10283935 0.84 MAPT (0.53) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL2486917 0.83 MAPT (0.39) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL417408 0.83 MAPT (0.54) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL2486415 0.82 MAPT (0.39) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL415731 0.82 MAPT (0.52) MAPTRAB9ASMN1; SMN2NPC1MAPK1

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 MAPT 3216/4885RAB9A 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.