SCHEMBL811285

SCHEMBL811285

COc1ccc(Sc2ccc(N)cc2[N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 9/20 0.60
PDE7B Q9NP56 3/20 0.60
TDP1 Q9NUW8 3/20 0.48
MAPT P10636 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
G6PD P11413 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
SERPINH1 P50454 1/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 2/20 0.44

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
SCHEMBL14486355 0.87 TDP1 (0.51) PDE7APDE7BTDP1MAPTALDH1A1
SCHEMBL810656 0.84 TDP1 (0.58) PDE7APDE7BTDP1MAPTALDH1A1
SCHEMBL22208236 0.82 TDP1 (0.62) PDE7APDE7BTDP1MAPTALDH1A1
SCHEMBL29442449 0.82 TDP1 (0.62) PDE7APDE7BTDP1MAPTALDH1A1
SCHEMBL810614 0.81 PDE7A (0.65) PDE7APDE7BTDP1MAPTALDH1A1
SCHEMBL2968510 0.81 PDE7A (0.68) PDE7APDE7BTDP1MAPTALDH1A1
SCHEMBL2960260 0.80 PDE7A (0.62) PDE7APDE7BTDP1MAPTALDH1A1
SCHEMBL8964795 0.80 SMN1; SMN2 (0.51) PDE7APDE7BTDP1MAPTALDH1A1
SCHEMBL1454112 0.79 HPGD (0.59) PDE7AMAPTALDH1A1MEN1KMT2A
SCHEMBL10554313 0.78 PDE7A (0.64) PDE7APDE7BTDP1MAPTALDH1A1

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 6 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
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 PDE7A 4223/4885PDE7B 4176/4885TDP1 4336/4885

“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.