SCHEMBL3108262

SCHEMBL3108262

CCCCN(C)C(=O)CNc1cc(C(=O)O)nc(N2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.45
▸ GLA P06280 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PIK3CA P42336 11/20 0.41
▸ PKM P14618 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NAPEPLD Q6IQ20 2/20 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
SCHEMBL3111777 0.90 ALDH1A1 (0.48) ALDH1A1KDM4EGLAPIK3CAPKM
SCHEMBL3100682 0.87 PIK3CA (0.52) ALDH1A1KDM4EGLAHPGDHSD17B10
SCHEMBL3108579 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EGLAHPGDHSD17B10
SCHEMBL3114446 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EGLAMEN1GAA
SCHEMBL3105225 0.79 KDM4E (0.49) ALDH1A1KDM4EGLAHPGDHSD17B10
SCHEMBL11926289 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EGLAHPGDHSD17B10
SCHEMBL3105933 0.79 PIK3CA (0.50) ALDH1A1KDM4EGLAHSD17B10MEN1
SCHEMBL3103765 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EGLAHSD17B10MEN1
SCHEMBL3118321 0.77 PIK3CA (0.46) KDM4EPIK3CAMAPK1NAPEPLD
SCHEMBL3111878 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EGLAHSD17B10MEN1

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 ALDH1A1 1381/4885KDM4E 3666/4885GLA 1497/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG ALDH1A1 1381/4885KDM4E 3666/4885GLA 1497/4885

“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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