SCHEMBL4133628

SCHEMBL4133628

COc1ccc(CCOc2nc(N3CCOCC3)c3cc(Br)ccc3n2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HIF1A Q16665 2/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALOX15 P16050 1/20 0.46
PDE4B Q07343 2/20 0.46
PDE4A P27815 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE11A Q9HCR9 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
PDE10A Q9Y233 3/20 0.43
GAK O14976 2/20 0.43
CCR5 P51681 1/20 0.41
PRKDC P78527 1/20 0.41
PDGFRB P09619 1/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
MAPT P10636 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
SCHEMBL425631 0.87 ALDH1A1 (0.51) ALDH1A1HIF1AHPGDMEN1KMT2A
SCHEMBL426562 0.86 ALDH1A1 (0.50) ALDH1A1HIF1AHPGDMEN1KMT2A
SCHEMBL427066 0.86 ALDH1A1 (0.50) ALDH1A1HIF1AHPGDMEN1KMT2A
SCHEMBL425978 0.86 ALDH1A1 (0.50) ALDH1A1HIF1AHPGDMEN1KMT2A
SCHEMBL426801 0.86 ALDH1A1 (0.45) ALDH1A1HIF1AHPGDMEN1KMT2A
SCHEMBL429174 0.86 ALDH1A1 (0.49) ALDH1A1HIF1AHPGDMEN1KMT2A
SCHEMBL425970 0.86 ALDH1A1 (0.49) ALDH1A1HIF1AHPGDMEN1KMT2A
SCHEMBL426608 0.86 ALDH1A1 (0.49) ALDH1A1HIF1AHPGDMEN1KMT2A
SCHEMBL429214 0.85 ALDH1A1 (0.45) ALDH1A1HIF1AHPGDMEN1KMT2A
SCHEMBL426922 0.84 ALOX15 (0.44) ALDH1A1HIF1AHPGDMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
EP-1687002-A4 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2008-07-23 EP disclosed
EP-1687002-A1 FUSED HETEROCYCLIC COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP disclosed
US-20050250770-A1 Fused heterocyclic compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
WO-2005046698-A1 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 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 (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-20050250770-A1 Fused heterocyclic compounds IL2, IL4, IL15 ALDH1A1 842/4885HIF1A 1366/4885HPGD 197/4885
US-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 ALDH1A1 1338/4885HIF1A 2263/4885HPGD 154/4885

“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.