SCHEMBL1455374

SCHEMBL1455374

O=C(Nc1ccc(Sc2ccc(O)cc2)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
GAA P10253 1/20 0.54
HTT P42858 3/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PDE7A Q13946 2/20 0.48
PDE7B Q9NP56 1/20 0.48
BCL2L1 Q07817 1/20 0.47
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNJ8 Q15842 1/20 0.46

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
SCHEMBL11957602 0.90 MAPT (0.58) MAPTGAAHTTMEN1KMT2A
SCHEMBL1455780 0.89 MAPT (0.55) MAPTGAAHTTMEN1KMT2A
SCHEMBL1455674 0.88 KMT2A (0.48) MAPTGAAHTTMEN1KMT2A
SCHEMBL1455316 0.85 AURKB (0.57) MAPTGAAHTTMEN1KMT2A
SCHEMBL810495 0.85 MAPT (0.50) MAPTGAAHTTMEN1KMT2A
SCHEMBL1455247 0.82 KMT2A (0.54) MAPTGAAHTTMEN1KMT2A
SCHEMBL1454149 0.82 KMT2A (0.62) MAPTGAAHTTMEN1KMT2A
SCHEMBL1455459 0.82 MAPT (0.60) MAPTGAAHTTMEN1KMT2A
SCHEMBL1455488 0.81 POLB (0.51) MAPTGAAHTTMEN1KMT2A
SCHEMBL11957598 0.81 MAPT (0.72) MAPTGAAHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
CN-101384591-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885GAA 504/4885HTT 472/4885

“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.