SCHEMBL3114523

SCHEMBL3114523

O=C(O)c1cc(N2CCCCC2)cc(N2CCOCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.52
KDM4E B2RXH2 4/20 0.47
PKM P14618 1/20 0.47
PIK3CA P42336 1/20 0.45
CFTR P13569 8/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3CB P42338 1/20 0.40
PIK3C2B O00750 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL425720 0.94 KMO (0.57) KMOKDM4EPKMPIK3CACFTR
SCHEMBL3112249 0.85 KMO (0.49) KMOKDM4EPKMPIK3CACFTR
SCHEMBL16950261 0.85 KMO (0.55) KMOKDM4EPKMPIK3CACFTR
SCHEMBL3110123 0.84 PIK3CA (0.49) KMOKDM4EPKMPIK3CACFTR
SCHEMBL3114998 0.83 KMO (0.56) KMOKDM4EPKMPIK3CAALDH1A1
SCHEMBL5488613 0.81 KMO (0.45) KMOPKMPIK3CACFTR
SCHEMBL16950262 0.80 CSNK2A2 (0.49) KMOKDM4EALDH1A1HPGDLMNA
SCHEMBL242170 0.78 KMO (0.56) KMOKDM4EPKMPIK3CAALDH1A1
SCHEMBL245694 0.78 KMO (0.49) KMOKDM4EPIK3CACFTRALDH1A1
SCHEMBL594184 0.77 KMO (0.61) KMOKDM4EPKMPIK3CAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG KMO 1707/4885KDM4E 3666/4885PKM 3729/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG KMO 1707/4885KDM4E 3666/4885PKM 3729/4885

“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.