SCHEMBL2963612

SCHEMBL2963612

O=C(O)c1ccc(COc2cc(Cl)cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.60
RXRA P19793 6/20 0.60
RXRB P28702 6/20 0.60
RXRG P48443 2/20 0.60
NR4A2 P43354 4/20 0.58
MRGPRX4 Q96LA9 2/20 0.53
MAOB P27338 2/20 0.52
MAOA P21397 1/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48

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
SCHEMBL27754142 0.88 S1PR4 (0.47) PLA2G4BRXRARXRBRXRGNR4A2
SCHEMBL2957643 0.86 MAPT (0.55) PLA2G4BMAOBMAOANPC1POLB
SCHEMBL2957648 0.85 MAOB (0.51) PLA2G4BRXRARXRBRXRGMRGPRX4
SCHEMBL28571002 0.83 MEN1 (0.50) MAOBMAOANPC1POLBRAB9A
SCHEMBL2967979 0.83 MAPT (0.51) MAOBMAOANPC1RAB9ASMN1; SMN2
SCHEMBL15282049 0.81 PLA2G4B (0.87) PLA2G4BRXRARXRBNR4A2MAOB
SCHEMBL2957654 0.81 MAPT (0.54) MAOBMAOAPOLB
SCHEMBL11265699 0.80 MEN1 (0.70) PLA2G4BNR4A2MAOBMAOARAB9A
SCHEMBL16396254 0.79 RAB9A (0.60) PLA2G4BMRGPRX4MAOBMAOANPC1
SCHEMBL23978217 0.77 MRGPRX4 (0.60) PLA2G4BRXRARXRBRXRGNR4A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PLA2G4B 4315/4885RXRA 3052/4885RXRB 3163/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PLA2G4B 4315/4885RXRA 3052/4885RXRB 3163/4885

“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.