SCHEMBL3113362

SCHEMBL3113362

O=C(O)c1cc(NCC(=O)N2CCc3ccccc3C2)nc(N2CCOCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.54
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NAPEPLD Q6IQ20 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ PIK3CA P42336 2/20 0.42
▸ POLB P06746 1/20 0.41

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
SCHEMBL3103765 0.85 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3111878 0.83 ALDH1A1 (0.45) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3117501 0.82 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL3100457 0.82 ALDH1A1 (0.44) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL3116623 0.80 PIK3CA (0.47) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL5498253 0.80 AKT1 (0.44) AKT1RAB9ANPC1NAPEPLDALDH1A1
SCHEMBL3115600 0.79 ALDH1A1 (0.42) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3105933 0.77 PIK3CA (0.50) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3116675 0.77 PIK3CA (0.45) ALDH1A1LMNAKDM4EPKMHTT
SCHEMBL3100682 0.74 PIK3CA (0.52) MEN1KMT2AALDH1A1LMNAKDM4E

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 AKT1 1094/4885RAB9A 3355/4885NPC1 2094/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG AKT1 1094/4885RAB9A 3355/4885NPC1 2094/4885

“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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