SCHEMBL6450141

SCHEMBL6450141

O=[N+]([O-])c1cccc(-c2nc(-c3ncccc3Br)n[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
LMNA P02545 3/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PDE4D Q08499 5/20 0.51
GRK6 P43250 1/20 0.47
MMP13 P45452 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA5 P30532 1/20 0.46
CHRNA4 P43681 1/20 0.46
RAB9A P51151 4/20 0.45
PDE4A P27815 3/20 0.45
PDE4C Q08493 3/20 0.45
NPC1 O15118 3/20 0.45
GRM5 P41594 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6452358 0.86 MAPT (0.56) MAPTLMNAMEN1KMT2APDE4D
SCHEMBL6451202 0.84 MAPT (0.53) MAPTLMNAMEN1KMT2APDE4D
SCHEMBL6449701 0.81 GRK6 (0.49) MAPTLMNAMEN1KMT2APDE4D
SCHEMBL28145745 0.81 PDE4D (0.64) MAPTLMNAPDE4DCHRNB2CHRNA5
SCHEMBL6452160 0.80 RAB9A (0.62) MAPTLMNAMEN1KMT2APDE4D
SCHEMBL17279705 0.79 MAPT (0.77) MAPTLMNAMEN1KMT2AGRK6
SCHEMBL7152896 0.77 NR1H2 (0.60) MAPTMEN1KMT2AGRK6RAB9A
SCHEMBL18526802 0.73 MAPT (0.72) MAPTLMNAMEN1KMT2AGRK6
SCHEMBL6451531 0.73 MAPT (0.60) MAPTLMNAMEN1KMT2AGRK6
SCHEMBL6449903 0.73 NR1H2 (0.47) MAPTLMNAMEN1KMT2ARAB9A

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC MAPT 2805/4885LMNA 2406/4885MEN1 3473/4885

“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.