SCHEMBL810863

SCHEMBL810863

COc1ccc(Sc2ccc(NCc3ccccc3)cc2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 1/20 0.48
HIF1A Q16665 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
HDAC1 Q13547 1/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
SLC2A1 P11166 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NCF1 P14598 1/20 0.43
MAOB P27338 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL810533 0.84 MEN1 (0.46) MAPTL3MBTL1RAB9ALMNAHIF1A
SCHEMBL810541 0.81 MAPT (0.48) MAPTL3MBTL1RAB9ANPC1LMNA
SCHEMBL810590 0.79 BCHE (0.53) MAPTL3MBTL1RAB9ANPC1LMNA
N-Benzyl-4-Methoxyaniline SCHEMBL1757104 0.77 HIF1A (0.69) MAPTL3MBTL1RAB9ANPC1LMNA
SCHEMBL2970197 0.75 SLC6A2 (0.57) MAPTL3MBTL1LMNAMEN1KMT2A
N-Benzyl-4-Methoxyaniline SCHEMBL5765646 0.75 HIF1A (0.68) MAPTL3MBTL1RAB9ANPC1LMNA
SCHEMBL11693812 0.74 HDAC1 (0.53) MAPTRAB9ANPC1HIF1AKMT2A
SCHEMBL14486804 0.74 PTGIR (0.49) MAPTL3MBTL1LMNAMEN1KMT2A
SCHEMBL11192900 0.72 HIF1A (0.64) MAPTL3MBTL1RAB9ANPC1LMNA
SCHEMBL8964803 0.72 MEN1 (0.54) MAPTRAB9ALMNAMEN1KMT2A

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
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885L3MBTL1 2884/4885RAB9A 571/4885

“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.