SCHEMBL4121635

SCHEMBL4121635

O=[N+]([O-])c1cnc2nc(Cl)nc(N3CCOCC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 3/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.42
ACHE P22303 1/20 0.40
MAPT P10636 4/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
SLC6A9 P48067 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
SCHEMBL4127690 0.79 SMN1; SMN2 (0.48) ALDH1A1HPGDMAPK1SMN1; SMN2MAPT
SCHEMBL4121842 0.79 KMT2A (0.45) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL3544112 0.78 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL13622706 0.78 SMN1; SMN2 (0.45) SMN1; SMN2MAPTPOLB
SCHEMBL4113627 0.75 KMT2A (0.43) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL4675601 0.74 ALDH1A1 (0.74) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL16896365 0.73 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL2145143 0.73 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL3561849 0.73 CYP1A2 (0.55) ALDH1A1CYP1A2CYP2C9HPGDMAPK1
SCHEMBL3363772 0.73 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9HPGDMAPK1

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 10 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-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-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
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 842/4885CYP1A2 219/4885CYP2C9 574/4885
US-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 ALDH1A1 1338/4885CYP1A2 68/4885CYP2C9 219/4885

“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.