SCHEMBL6449759

SCHEMBL6449759

O=[N+]([O-])c1cccc(-c2nc(-c3cnccc3C(F)(F)F)n[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GRK6 P43250 1/20 0.44
IDO1 P14902 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA4 P43681 1/20 0.43
RAB9A P51151 3/20 0.42
CYP1A2 P05177 2/20 0.42
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GUSB P08236 1/20 0.39
PDE4A P27815 1/20 0.39

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
SCHEMBL6450026 0.82 GRK6 (0.48) MAPTLMNAMEN1KMT2AGRK6
SCHEMBL6452381 0.81 SMN1; SMN2 (0.52) MAPTMEN1KMT2AIDO1RAB9A
SCHEMBL3584198 0.81 CYP1A2 (0.47) MAPTIDO1CHRNB2CHRNA5CHRNA4
SCHEMBL6451202 0.80 MAPT (0.53) MAPTLMNAMEN1KMT2AGRK6
SCHEMBL6452075 0.79 NR1H2 (0.55) MAPTGRK6RAB9ACYP1A2NPC1
SCHEMBL6453081 0.77 SMN1; SMN2 (0.44) LMNARAB9ANPC1SMN1; SMN2
SCHEMBL6450010 0.76 MAPT (0.53) MAPTLMNAMEN1KMT2AGRK6
SCHEMBL17279705 0.76 MAPT (0.77) MAPTLMNAMEN1KMT2AGRK6
SCHEMBL6453811 0.74 NR1H2 (0.49) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL6454617 0.74 JAK2 (0.40) LMNARAB9ANPC1SMN1; SMN2

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.