SCHEMBL414465

SCHEMBL414465

CN(Cc1ccccc1C(F)(F)F)C(=O)CCCNCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
MPO P05164 2/20 0.46
BCHE P06276 2/20 0.43
CHRM2 P08172 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
POLQ O75417 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FOLH1 Q04609 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
EPHX2 P34913 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL419875 0.84 ACHE (0.60) ACHEMPOBCHECHRM2TDP1
SCHEMBL417530 0.81 ACHE (0.47) ACHEMPOBCHECHRM2HDAC3
SCHEMBL414464 0.79 ACHE (0.55) ACHEBCHECHRM2POLQTDP1
SCHEMBL415232 0.78 MPO (0.41) ACHEMPOBCHECHRM2HDAC3
SCHEMBL413508 0.76 TDP1 (0.45) CHRM2KDM4EALDH1A1HTTTDP1
SCHEMBL413023 0.70 ACHE (0.52) ACHEBCHEALDH1A1POLQTDP1
SCHEMBL19951709 0.69 POLQ (0.57) ACHEKDM4EALDH1A1POLQHTT
SCHEMBL417997 0.69 ACHE (0.55) ACHEBCHECHRM2TDP1KMT2A
SCHEMBL416389 0.68 ACHE (0.50) ACHEBCHEALDH1A1POLQTDP1
SCHEMBL417417 0.68 ACHE (0.48) ACHEBCHEALDH1A1POLQTDP1

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 2 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 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 ACHE 4296/4885MPO 999/4885BCHE 3039/4885

“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.