SCHEMBL1454853

SCHEMBL1454853

O=C(Nc1ccc(Sc2ccc(C(=O)Nc3ccc(C(F)(F)F)cn3)cc2[N+](=O)[O-])cc1)OCC(Cl)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PTGS1 P23219 2/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 2/20 0.40
THRB P10828 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
PTGES O14684 1/20 0.38

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
SCHEMBL1455762 0.91 MAPT (0.46) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1454603 0.89 ALDH1A1 (0.50) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1454699 0.89 MAPT (0.59) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1455260 0.87 PTGS1 (0.48) MAPTPTGS1ALDH1A1POLBLMNA
SCHEMBL1455063 0.82 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1455802 0.81 KCNQ3 (0.45) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1454540 0.81 ALDH1A1 (0.46) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1455127 0.81 MAPT (0.47) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1455791 0.79 MEN1 (0.42) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1456215 0.79 MEN1 (0.48) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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 5 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
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 3135/4885PTGS1 2132/4885

“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.