SCHEMBL2963544

SCHEMBL2963544

O=[N+]([O-])c1cc(COc2ccccc2)ccc1Sc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALDH1A1 P00352 2/20 0.53
PDE7A Q13946 3/20 0.49
PDE7B Q9NP56 2/20 0.49
PTGES O14684 1/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.43
BCL2L1 Q07817 1/20 0.43
BACE1 P56817 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 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
SCHEMBL2961961 0.88 MAPT (0.51) MAPTALDH1A1PDE7APDE7BHTT
SCHEMBL811151 0.88 MAPT (0.48) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL810779 0.81 MAPT (0.51) MAPTALDH1A1PDE7AHTTMEN1
SCHEMBL811413 0.81 PDE7A (0.48) MAPTALDH1A1PDE7A
SCHEMBL810374 0.81 BACE1 (0.55) MAPTMEN1KMT2APOLBBACE1
SCHEMBL811397 0.81 FFAR1 (0.47) MAPTALDH1A1BACE1
SCHEMBL2967083 0.79 CYP1A2 (0.47) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL810198 0.78 PDE7A (0.55) MAPTALDH1A1PDE7APDE7BHTT
SCHEMBL1454766 0.77 PDE7A (0.55) MAPTALDH1A1PDE7APDE7BHTT
SCHEMBL810769 0.75 MAPT (0.48) MAPTALDH1A1PDE7APDE7BHTT

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 9 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
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN 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 MAPT 1347/4885ALDH1A1 2723/4885PDE7A 4223/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885ALDH1A1 2723/4885PDE7A 4223/4885

“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.