SCHEMBL1455409

SCHEMBL1455409

Nc1cc(C(=O)Nc2ccc(Br)cn2)ccc1Sc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
RXFP1 Q9HBX9 2/20 0.41
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
F10 P00742 4/20 0.39
KLK1 P06870 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
MITF O75030 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL1455410 0.91 F10 (0.42) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL1455067 0.87 EPHX2 (0.42) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL1454905 0.87 EPHX2 (0.45) KMT2AEPHX2ABL1KIT
SCHEMBL1454542 0.83 MEN1 (0.43) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL1455664 0.82 NPC1 (0.43) NPC1RAB9AKMT2AMEN1RXFP1
SCHEMBL1455931 0.82 EPHX2 (0.42) KMT2AEPHX2MAPTKDM4EALDH1A1
SCHEMBL1454596 0.81 EPHX2 (0.50) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL1455074 0.81 EPHX2 (0.39) KMT2AEPHX2MAPTKDM4EALDH1A1
SCHEMBL1454290 0.80 EPHX2 (0.41) KMT2ARXFP1EPHX2MAPTKDM4E
SCHEMBL1455659 0.79 BCL2L1 (0.43) NPC1RAB9AKMT2AMEN1EPHX2

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 3 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
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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 NPC1 37/4885RAB9A 571/4885KMT2A 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.