SCHEMBL4023006

SCHEMBL4023006

Oc1nc(-c2cc(Br)ccc2F)nc2c1CCC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.42
GRIN1 Q05586 8/20 0.42
GRIN2A Q12879 8/20 0.42
BCHE P06276 7/20 0.42
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SPR P35270 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NMUR2 Q9GZQ4 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
ENPP2 Q13822 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL12426340 0.84 ACHE (0.43) ACHEGRIN1GRIN2ABCHEALDH1A1
SCHEMBL2202293 0.82 SOS1 (0.44) ACHEGRIN1GRIN2ABCHEALDH1A1
SCHEMBL15921330 0.78 ACHE (0.40) ACHEGRIN1GRIN2ABCHEALDH1A1
SCHEMBL6075309 0.73 MAPT (0.47) ACHEGRIN1GRIN2ABCHEALDH1A1
SCHEMBL12426347 0.71 ACHE (0.44) ACHEGRIN1GRIN2ABCHEALDH1A1
SCHEMBL14463345 0.70 ACHE (0.46) ACHEGRIN1GRIN2ABCHEALDH1A1
SCHEMBL6075269 0.70 ACHE (0.43) ACHEGRIN1GRIN2ABCHEALDH1A1
SCHEMBL4809314 0.69 TP53 (0.46) ACHEGRIN1GRIN2ABCHEALDH1A1
SCHEMBL5733680 0.69 ACHE (0.40) ACHEGRIN1GRIN2ABCHEALDH1A1
SCHEMBL18833249 0.69 HTT (0.46) ACHEGRIN1GRIN2ABCHERXFP1

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-8227407-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2012-07-24 US disclosed
US-20090062311-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-03-05 US disclosed
EP-1912997-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
WO-2007014925-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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-20090062311-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS HCCS, NR5A1, NR0B1 ACHE 4832/4885GRIN1 677/4885GRIN2A 1433/4885

“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.