SCHEMBL4995489

SCHEMBL4995489

O=C(O)c1cccc(-c2noc(-c3cc(F)cc(F)c3)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.68
BLVRB P30043 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
NR1H4 Q96RI1 2/20 0.57
GRM5 P41594 2/20 0.53
TP53 P04637 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KMO O15229 1/20 0.45

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
SCHEMBL60640 0.92 NPC1 (0.71) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL12171924 0.92 NPC1 (0.71) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL60333 0.89 MAOA (0.68) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL60427 0.87 NPC1 (0.76) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL4875653 0.86 NPC1 (0.67) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL59154 0.84 MAOA (0.78) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL17336565 0.84 NPC1 (0.72) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL59247 0.84 RAB9A (0.72) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL12171569 0.84 NPC1 (0.76) MAOABLVRBHDAC6NPC1RAB9A
SCHEMBL60051 0.84 NPC1 (0.72) MAOABLVRBHDAC6NPC1RAB9A

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-7419991-B2 Treating or preventing a disease ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay such as genetic disorders PTC THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20060148864-A1 Treating or preventing a disease ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay such as genetic disorders PTC THERAPEUTICS, INC. 2006-07-06 US 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-20060148864-A1 Treating or preventing a disease ameliorated by modulation of premature translation termination or nonsense-mediated mRNA decay such as genetic disorders UPF1, PABPC1, PABPC4 MAOA 3474/4885BLVRB 2415/4885HDAC6 620/4885

“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.