SCHEMBL412448

SCHEMBL412448

CCOC(=O)c1cc(F)ccc1SCCCC(=O)N(C)c1ccccc1OC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
ALOX5 P09917 1/20 0.35
GRM7 Q14831 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL413532 0.83 MAPT (0.45) MAPTTP53POLBKDM4EKMT2A
SCHEMBL413150 0.83 POLB (0.41) POLBKDM4ESMN1; SMN2KMT2ATDP1
SCHEMBL417155 0.83 LMNA (0.42) MAPTTP53POLBLMNAHPGD
SCHEMBL414275 0.79 TDP1 (0.48) MAPTSMN1; SMN2KMT2ATDP1LMNA
SCHEMBL417882 0.79 TSHR (0.44) MAPTPOLBKDM4ESMN1; SMN2KMT2A
SCHEMBL413450 0.77 ACHE (0.47) MAPTSMN1; SMN2KMT2ATDP1MEN1
SCHEMBL412584 0.74 TSHR (0.40) MAPTPOLBKDM4ESMN1; SMN2KMT2A
SCHEMBL416370 0.74 NPC1 (0.45) SMN1; SMN2KMT2ATDP1LMNAMEN1
SCHEMBL417646 0.74 ACHE (0.48) SMN1; SMN2KMT2ATDP1MEN1
SCHEMBL13263641 0.72 CYP1A2 (0.47) KDM4EKMT2ALMNAMEN1

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 3216/4885TP53 3142/4885POLB 444/4885

“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.