SCHEMBL1455780

SCHEMBL1455780

O=C(Nc1ccc(Sc2ccc(O)cc2)c([N+](=O)[O-])c1)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 3/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 2/20 0.47
PDE7A Q13946 1/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
GSTP1 P09211 1/20 0.45
GSTM2 P28161 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GFER P55789 1/20 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
SCHEMBL1455459 0.93 MAPT (0.60) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1455374 0.89 MAPT (0.56) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1455627 0.83 MAPT (0.59) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1456161 0.82 MEN1 (0.45) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1455674 0.82 KMT2A (0.48) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1454120 0.81 TP53 (0.51) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL810343 0.80 MAPT (0.50) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1454676 0.80 MAPT (0.58) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL811364 0.80 AGER (0.52) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL810495 0.79 MAPT (0.50) MAPTLMNAMEN1KMT2AALDH1A1

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-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
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-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 (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 1347/4885SMN1; SMN2 3135/4885LMNA 3252/4885

“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.