SCHEMBL4883822

SCHEMBL4883822

[CH2]CNC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.67
POLB P06746 1/20 0.67
HTT P42858 1/20 0.67
EPHX2 P34913 1/20 0.59
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
KMT2A Q03164 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
LMNA P02545 1/20 0.52

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
SCHEMBL4146849 0.81 HPGD (0.68) HPGDPOLBHTTEPHX2HDAC4
SCHEMBL27014534 0.80 HPGD (0.75) HPGDPOLBHTTEPHX2HDAC4
SCHEMBL6290092 0.80 HPGD (1.00) HPGDPOLBHTTEPHX2HDAC4
SCHEMBL6290089 0.80 HPGD (0.75) HPGDPOLBHTTEPHX2HDAC4
SCHEMBL4069494 0.80 CA1 (0.66) HPGDPOLBHTTEPHX2HDAC4
SCHEMBL3504592 0.79 HPGD (0.73) HPGDPOLBHTTEPHX2HDAC4
SCHEMBL13753103 0.79 HPGD (0.73) HPGDPOLBHTTEPHX2HDAC4
SCHEMBL8108036 0.79 EPHX2 (0.79) HPGDPOLBHTTEPHX2HDAC4
SCHEMBL3282470 0.79 CYP1A2 (0.61) HTTHDAC4HDAC1HDAC7HDAC11
SCHEMBL1202191 0.79 HPGD (0.62) HPGDPOLBHTTEPHX2HDAC4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 HPGD 65/4885POLB 1231/4885HTT 3935/4885

“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.