SCHEMBL415468

SCHEMBL415468

O=C(O)CCCn1ccc(-c2ccc(F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.47
GABRB2 P47870 5/20 0.47
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
GABRP O00591 3/20 0.46
GABRD O14764 3/20 0.46
GABRB1 P18505 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46

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
SCHEMBL10247832 0.87 GABRA1 (0.59) GABRA1GABRB2HDAC3HDAC4HDAC1
SCHEMBL415236 0.82 GABRA1 (0.65) GABRA1GABRB2HDAC3HDAC4HDAC1
SCHEMBL412586 0.82 FAAH (0.51) LMNAHSD17B10ALOX15SCN4AKDM4E
SCHEMBL5346265 0.79 KMT2A (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13933893 0.78 SCN4A (0.47) MAPK13MAPK12MAPK11MAPK14HSD17B10
SCHEMBL17261550 0.77 GABRP (0.51) GABRA1GABRB2HDAC3HDAC4HDAC1
SCHEMBL417546 0.75 PTGIR (0.50) GABRA1GABRB2HDAC3HDAC4HDAC1
SCHEMBL414600 0.74 SMN1; SMN2 (0.52) MAPK13MAPK12MAPK11MAPK14HSD17B10
Hydrochloric Acid SCHEMBL15326972 0.74 SCN4A (0.47) LMNASCN4AKDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL15327024 0.74 SCN4A (0.47) LMNASCN4AKDM4EALDH1A1KMT2A

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 GABRA1 3384/4885GABRB2 3283/4885HDAC3 948/4885

“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.