SCHEMBL3100732

SCHEMBL3100732

O=C(O)c1cc(N2CCN(CCO)CC2)nc(N2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
KMT2A Q03164 3/20 0.46
NAPEPLD Q6IQ20 7/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PIK3CA P42336 3/20 0.43
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42

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
SCHEMBL1271891 0.87 KMO (0.61) KMONPSR1HRH4KMT2ANAPEPLD
SCHEMBL3114998 0.82 KMO (0.56) KMONPSR1HRH4KMT2ANAPEPLD
SCHEMBL3118342 0.79 KMO (0.52) KMONPSR1HRH4KMT2ANAPEPLD
SCHEMBL3105290 0.78 KMT2A (0.51) KMONPSR1HRH4KMT2ANAPEPLD
SCHEMBL3107368 0.78 HSD17B10 (0.57) KMONAPEPLDKDM4EALDH1A1LMNA
SCHEMBL3113412 0.77 KMO (0.50) KMONPSR1HRH4KMT2ANAPEPLD
SCHEMBL3114736 0.76 KMO (0.49) KMOKMT2ANAPEPLDKDM4EALDH1A1
SCHEMBL6651425 0.75 POLB (0.64) KMONPSR1HRH4KMT2ANAPEPLD
SCHEMBL9755201 0.75 MEN1 (0.73) HRH4KMT2AKDM4EALDH1A1LMNA
SCHEMBL3997510 0.75 POLB (0.52) KMOKMT2AKDM4EALDH1A1LMNA

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-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO 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 1707/4885NPSR1 1657/4885HRH4 340/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG KMO 1707/4885NPSR1 1657/4885HRH4 340/4885

“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.