SCHEMBL810482

SCHEMBL810482

N#Cc1ccccc1COc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.48
MAOB P27338 4/20 0.47
FFAR1 O14842 1/20 0.46
MERTK Q12866 1/20 0.43
BCL2 P10415 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
PIN1 Q13526 1/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SPHK2 Q9NRA0 1/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 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
SCHEMBL810907 0.81 PARP10 (0.46) VCAM1MAOBFFAR1BCL2KMT2A
SCHEMBL810526 0.81 ALDH1A1 (0.54) MAOBKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL27727058 0.79 FFAR1 (0.55) MAOBFFAR1KMT2ANPC1SMN1; SMN2
SCHEMBL810591 0.79 NPC1 (0.51) MAOBFFAR1KMT2ANPC1RAB9A
SCHEMBL13577185 0.78 MAOB (0.49) MAOBFFAR1MRGPRX4KMT2ANPC1
SCHEMBL810842 0.78 MEN1 (0.53) VCAM1MAOBPIN1KMT2ANPC1
SCHEMBL29463873 0.78 MEN1 (0.53) VCAM1MAOBPIN1KMT2ANPC1
SCHEMBL810308 0.78 VCAM1 (0.61) VCAM1MAOBMERTKRAB9ASMN1; SMN2
SCHEMBL810911 0.77 VCAM1 (0.57) VCAM1MAOBFFAR1MERTKBCL2
SCHEMBL2747315 0.76 MAPT (0.52) VCAM1MRGPRX4KMT2ANPC1RAB9A

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 11 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
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO 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 (2 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 VCAM1 1503/4885MAOB 3352/4885FFAR1 4621/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 VCAM1 1503/4885MAOB 3352/4885FFAR1 4621/4885

“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.