SCHEMBL5583395

SCHEMBL5583395

O=C(O)c1cc2cc(NCc3cccnc3)ccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.59
PIM2 Q9P1W9 2/20 0.59
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
CYP3A4 P08684 2/20 0.52
TP53 P04637 1/20 0.52
BLM P54132 1/20 0.52
ALDH1A1 P00352 7/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
USP2 O75604 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LTA4H P09960 1/20 0.51
PABPC1 P11940 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL29054183 0.90 ALDH1A1 (0.59) PIM1PIM2KMT2AMEN1TP53
SCHEMBL30524280 0.90 ALDH1A1 (0.59) PIM1PIM2KMT2AMEN1TP53
SCHEMBL29054174 0.88 ALDH1A1 (0.59) KMT2AMEN1CYP3A4TP53BLM
SCHEMBL210696 0.82 HDAC1 (0.56) KMT2AMEN1CYP3A4ALDH1A1MAPT
SCHEMBL11193187 0.80 PIM1 (0.64) PIM1PIM2KMT2AMEN1CYP3A4
Furegrelate SCHEMBL10953582 0.80 TP53 (0.77) PIM1PIM2KMT2AMEN1CYP3A4
SCHEMBL30524276 0.79 ALDH1A1 (0.54) KMT2AMEN1TP53ALDH1A1KDM4E
Furegrelate SCHEMBL10956224 0.79 TP53 (0.76) PIM1PIM2KMT2AMEN1CYP3A4
Furegrelate SCHEMBL10451458 0.79 TP53 (0.76) PIM1PIM2KMT2AMEN1CYP3A4
SCHEMBL5583428 0.77 HIF1A (0.58) KMT2AMEN1TP53ALDH1A1MAPT

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
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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 (2 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 PIM1 2009/4885PIM2 2680/4885KMT2A 68/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 PIM1 2462/4885PIM2 3102/4885KMT2A 123/4885

“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.