SCHEMBL3100457

SCHEMBL3100457

O=C(O)c1cc(NCC(=O)N2CCCCC2)nc(N2CCOCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ GLA P06280 1/20 0.44
▸ PKM P14618 1/20 0.42
▸ PIK3CA P42336 8/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ FABP4 P15090 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL3111878 0.99 ALDH1A1 (0.45) ALDH1A1GLAPKMPIK3CAKDM4E
SCHEMBL3103765 0.94 ALDH1A1 (0.46) ALDH1A1GLAPKMPIK3CAKDM4E
SCHEMBL3117501 0.89 ALDH1A1 (0.45) ALDH1A1GLAPKMPIK3CAKDM4E
SCHEMBL3116623 0.89 PIK3CA (0.47) ALDH1A1GLAPKMPIK3CAKDM4E
SCHEMBL3115600 0.88 ALDH1A1 (0.42) ALDH1A1GLAPKMPIK3CAKDM4E
SCHEMBL3116675 0.86 PIK3CA (0.45) ALDH1A1GLAPKMPIK3CAKDM4E
SCHEMBL3105933 0.84 PIK3CA (0.50) ALDH1A1GLAPKMPIK3CAKDM4E
SCHEMBL3113362 0.82 AKT1 (0.54) ALDH1A1PKMPIK3CAKDM4EHSD17B10
SCHEMBL3100682 0.81 PIK3CA (0.52) ALDH1A1GLAPKMPIK3CAKDM4E
SCHEMBL3105225 0.80 KDM4E (0.49) ALDH1A1GLAPKMPIK3CAKDM4E

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
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
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US 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 ALDH1A1 1381/4885GLA 1497/4885PKM 3729/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG ALDH1A1 1381/4885GLA 1497/4885PKM 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.

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