SCHEMBL417812

SCHEMBL417812

COC(=O)CCC(=O)NCC(=O)c1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
CYP1A2 P05177 1/20 0.62
ATM Q13315 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HPGD P15428 2/20 0.59
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MMP1 P03956 1/20 0.44
PARP1 P09874 1/20 0.44
GSK3B P49841 2/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL14982196 0.91 KMT2A (0.52) KMT2AMEN1CYP1A2ATML3MBTL1
SCHEMBL25961564 0.85 KMT2A (0.44) KMT2AMEN1CYP1A2ATML3MBTL1
SCHEMBL7398 0.84 KMT2A (0.64) KMT2AMEN1CYP1A2ATML3MBTL1
SCHEMBL20245203 0.83 HDAC1 (0.49) KMT2AMEN1HPGDMAPTALDH1A1
SCHEMBL161141 0.80 MAPT (0.66) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL7925389 0.80 KMT2A (0.59) KMT2AMEN1CYP1A2ATML3MBTL1
SCHEMBL3841701 0.78 HDAC1 (0.58) KMT2AMEN1CYP1A2ATML3MBTL1
SCHEMBL7243792 0.78 HDAC1 (0.63) KMT2AMEN1CYP1A2ATML3MBTL1
SCHEMBL9977220 0.77 HDAC1 (0.54) KMT2AMEN1MAPTALDH1A1HDAC1
SCHEMBL6037940 0.77 HDAC8 (0.62) HDAC1HDAC8PARP1GSK3B

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 3 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-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 KMT2A 2843/4885MEN1 4868/4885CYP1A2 151/4885

“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.