SCHEMBL1455802

SCHEMBL1455802

O=C(Nc1ccc(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2[N+](=O)[O-])cc1)OCC(Cl)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 7/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE7A Q13946 1/20 0.41
GAA P10253 2/20 0.41
CXCR2 P25025 1/20 0.41
HTT P42858 3/20 0.41
RAB9A P51151 3/20 0.40
MAPK1 P28482 3/20 0.40
NPC1 O15118 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
ATM Q13315 1/20 0.40
BCL2 P10415 1/20 0.40

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
SCHEMBL1455063 0.86 MAPT (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1455762 0.86 MAPT (0.46) KCNQ3KCNQ2ALDH1A1L3MBTL1MAPT
SCHEMBL1454353 0.85 ALDH1A1 (0.47) KCNQ3KCNQ2ALDH1A1L3MBTL1MAPT
SCHEMBL1454597 0.85 ALDH1A1 (0.49) KCNQ3KCNQ2ALDH1A1L3MBTL1MAPT
SCHEMBL1455127 0.85 MAPT (0.47) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1454540 0.85 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL1456215 0.83 MEN1 (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1454853 0.81 MAPT (0.45) KCNQ3KCNQ2ALDH1A1MAPTMEN1
SCHEMBL1455361 0.81 PDE7A (0.65) KCNQ3KCNQ2ALDH1A1L3MBTL1MAPT
SCHEMBL1454123 0.80 MAPT (0.47) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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 KCNQ3 4388/4885KCNQ2 4546/4885ALDH1A1 2723/4885

“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.