SCHEMBL3759727

SCHEMBL3759727

O=C(c1ccccn1)N(O)c1[c]cccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.41
GSK3B P49841 1/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
PKM P14618 2/20 0.36
CTNNB1 P35222 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL14885759 0.75 LMNA (0.57) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL6796747 0.75 HPGD (0.40) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL10690356 0.74 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL11254855 0.71 ALDH1A1 (0.59) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL971951 0.70 KMT2A (0.55) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL14885758 0.70 TLR7 (0.53) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL4656150 0.69 CES2 (0.59) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL29516254 0.69 ALDH1A1 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL761925 0.69 ALDH1A1 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL18917080 0.69 CES2 (0.59) CES2CES1L3MBTL1LMNANAPRT

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
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 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 (1 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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA CES2 4536/4885CES1 1960/4885L3MBTL1 1887/4885

“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.