SCHEMBL1455810

SCHEMBL1455810

Nc1cc(C(=O)Nc2ccccc2)ccc1Sc1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MEN1 O00255 5/20 0.52
MAPT P10636 2/20 0.52
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
PLAU P00749 2/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL11957597 0.90 HDAC2 (0.52) MAPTHDAC1HDAC2HDAC3NCOR2
SCHEMBL1455189 0.90 RAB9A (0.54) KMT2AMEN1MAPTHDAC1HDAC2
SCHEMBL1454155 0.89 RAB9A (0.53) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL1455605 0.88 DEGS1 (0.50) KMT2AMAPTHDAC1HDAC2HDAC3
SCHEMBL11200897 0.80 HDAC2 (0.59) KMT2AMEN1HDAC1HDAC2HDAC3
SCHEMBL1454613 0.80 NPC1 (0.53) KMT2AMEN1MAPTHDAC1HDAC2
SCHEMBL1456119 0.79 RAB9A (0.57) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL1454936 0.78 MEN1 (0.52) KMT2AMEN1MAPTHDAC1HDAC2
SCHEMBL1455565 0.78 HPGD (0.51) KMT2AMEN1MAPTHDAC1NPC1
SCHEMBL1455746 0.78 MAPK1 (0.48) KMT2AMEN1MAPTNPC1RAB9A

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 KMT2A 3566/4885MEN1 4571/4885MAPT 1347/4885

“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.