SCHEMBL1454699

SCHEMBL1454699

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 4/20 0.42
GAA P10253 1/20 0.41
HTT P42858 3/20 0.41
RXFP1 Q9HBX9 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 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
SCHEMBL1454603 0.91 ALDH1A1 (0.50) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL1455762 0.91 MAPT (0.46) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1455063 0.90 MAPT (0.54) MAPTSMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL1454853 0.89 MAPT (0.45) MAPTSMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL1455664 0.87 NPC1 (0.43) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL1454123 0.84 MAPT (0.47) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1454540 0.82 ALDH1A1 (0.46) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1455127 0.82 MAPT (0.47) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1453996 0.81 MAPT (0.68) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL1455791 0.80 MEN1 (0.42) MAPTSMN1; SMN2KMT2AMEN1NPC1

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 3135/4885KMT2A 3566/4885

“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.