SCHEMBL6450010

SCHEMBL6450010

O=[N+]([O-])c1cccc(-c2nc(-c3ccc(C(F)(F)F)cn3)n[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
LMNA P02545 4/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
IDO1 P14902 1/20 0.46
GRK6 P43250 1/20 0.45
SCN2A Q99250 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
GRM5 P41594 1/20 0.40
MET P08581 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40

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
SCHEMBL6454836 0.81 GRK6 (0.48) MAPTLMNAMEN1KMT2AGRK6
SCHEMBL6454632 0.81 ALDH1A1 (0.53) MAPTMEN1KMT2AIDO1GRK6
SCHEMBL6452160 0.80 RAB9A (0.62) MAPTLMNAMEN1KMT2AIDO1
SCHEMBL6461023 0.80 NPC1 (0.65) MAPTKEAP1NFE2L2RAB9ANPC1
SCHEMBL6454205 0.78 NR1H2 (0.56) GRK6RAB9ANPC1SMN1; SMN2ABCG2
SCHEMBL6451202 0.77 MAPT (0.53) MAPTLMNAMEN1KMT2AIDO1
SCHEMBL17279705 0.76 MAPT (0.77) MAPTLMNAMEN1KMT2AIDO1
SCHEMBL6449759 0.76 MAPT (0.52) MAPTLMNAMEN1KMT2AIDO1
SCHEMBL6450407 0.75 FEN1 (0.43) LMNASCN2ARAB9ANPC1SMN1; SMN2
SCHEMBL6451531 0.75 MAPT (0.60) MAPTLMNAMEN1KMT2AIDO1

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.