SCHEMBL3102408

SCHEMBL3102408

Cc1cccc(NC(=O)c2cc(N(C)CCO)nc(N3CCOCC3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 2/20 0.56
GBA1 P04062 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
HIF1A Q16665 1/20 0.49
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
PIK3CA P42336 7/20 0.48
PIK3CD O00329 2/20 0.48
PIK3CB P42338 2/20 0.48
AKT1 P31749 1/20 0.47
PIK3CG P48736 1/20 0.47
TSHR P16473 1/20 0.47
DGAT1 O75907 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43

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
SCHEMBL11926388 0.90 NAPEPLD (0.55) NAPEPLDALDH1A1HTTMAPTPIK3CA
SCHEMBL11926389 0.89 NAPEPLD (0.53) NAPEPLDKDM4EMAPTPIK3CARAF1
SCHEMBL11926395 0.89 NAPEPLD (0.53) NAPEPLDMAPTPIK3CATSHRMEN1
SCHEMBL11926399 0.86 NAPEPLD (0.51) NAPEPLDALDH1A1HTTPOLBPIK3CA
SCHEMBL3114660 0.83 NAPEPLD (0.49) NAPEPLDGBA1ALDH1A1KDM4EMAPT
SCHEMBL11926387 0.81 NAPEPLD (0.51) NAPEPLDHTTMAPTPIK3CAAKT1
SCHEMBL3105453 0.80 NAPEPLD (0.50) NAPEPLDMAPTPIK3CAAKT1RAF1
SCHEMBL13440188 0.80 NAPEPLD (0.54) NAPEPLDPIK3CARAF1BRAF
SCHEMBL3106257 0.79 RAF1 (0.52) NAPEPLDPIK3CAAKT1RAF1BRAF
SCHEMBL11926345 0.79 NAPEPLD (0.53) NAPEPLDALDH1A1POLBPIK3CAPIK3CB

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 16 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-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
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-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 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
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 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 NAPEPLD 1303/4885GBA1 2074/4885ALDH1A1 1381/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG NAPEPLD 1303/4885GBA1 2074/4885ALDH1A1 1381/4885

“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.