SCHEMBL810591

SCHEMBL810591

O=[N+]([O-])c1cc(OCc2cccc3ccccc23)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PARP10 Q53GL7 2/20 0.48
CNR2 P34972 3/20 0.47
KMT2A Q03164 4/20 0.46
PARP15 Q460N3 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.45
FFAR1 O14842 1/20 0.45
AKR1B1 P15121 1/20 0.45
CYP19A1 P11511 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TNF P01375 1/20 0.45
NOD1 Q9Y239 1/20 0.45
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
MAOB P27338 1/20 0.43

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
SCHEMBL9185336 0.85 NPC1 (0.51) NPC1RAB9APARP10CNR2KMT2A
SCHEMBL810907 0.82 PARP10 (0.46) NPC1RAB9APARP10KMT2AMAPT
SCHEMBL810526 0.82 ALDH1A1 (0.54) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7993223 0.79 NPC1 (0.59) NPC1RAB9APARP10CNR2KMT2A
SCHEMBL810482 0.79 VCAM1 (0.48) NPC1RAB9AKMT2AFFAR1ALDH1A1
SCHEMBL7228750 0.79 MAPT (0.61) NPC1RAB9APARP10CNR2KMT2A
SCHEMBL810842 0.79 MEN1 (0.53) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL29463873 0.79 MEN1 (0.53) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7993221 0.76 NPC1 (0.57) NPC1RAB9ACNR2KMT2AMEN1
SCHEMBL810302 0.76 PDE10A (0.56)

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 7 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
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 NPC1 37/4885RAB9A 571/4885PARP10 2995/4885

“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.