SCHEMBL1136814

SCHEMBL1136814

O=C(NCC=CCNC(=O)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 1/20 0.54
▸ RAD51 Q06609 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ TAAR1 Q96RJ0 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HTT P42858 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FAAH O00519 1/20 0.46

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
SCHEMBL1136813 1.00 DRD3 (0.54) DRD3RAD51HSD17B10RAB9ANPC1
SCHEMBL12393942 0.87 RAB9A (0.48) DRD3RAD51HSD17B10RAB9ANPC1
SCHEMBL21838761 0.85 ALDH1A1 (0.51) RAD51HSD17B10RAB9ANPC1TAAR1
SCHEMBL45254 0.85 RAB9A (0.55) RAD51HSD17B10RAB9ANPC1TAAR1
SCHEMBL9778357 0.82 HSD17B10 (0.57) RAD51HSD17B10RAB9ANPC1TAAR1
SCHEMBL13055389 0.82 TAAR1 (0.60) HSD17B10RAB9ANPC1TAAR1GAA
SCHEMBL5108159 0.81 NPC1 (0.69) HSD17B10RAB9ANPC1TAAR1GAA
SCHEMBL21925516 0.78 HSD17B10 (0.54) RAD51HSD17B10RAB9ANPC1TAAR1
SCHEMBL126140 0.78 HSD17B10 (0.54) HSD17B10RAB9ANPC1TAAR1GAA
SCHEMBL1416169 0.78 HSD17B10 (0.58) RAD51HSD17B10RAB9ANPC1TAAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318935-B2 Organic compounds 75074 NOVARTIS AG (CH) 2012-11-27 — — US disclosed
EP-2332933-A1 Epithelial sodium channel (ENaC) inhibitors Novartis AG (CH) 2011-06-15 — — EP disclosed
EP-2155721-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-23 — — EP disclosed
US-20100105660-A1 ORGANIC COMPOUNDS75074 NOVARTIS AG (CH) 2010-04-29 — — US disclosed
EP-2155721-A1 ORGANIC COMPOUNDS Novartis Ag (CH) 2010-02-24 — — EP disclosed
WO-2008135557-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-11-13 — — 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-20100105660-A1 ORGANIC COMPOUNDS75074 SCNN1A, TRPM4, TRPV4 DRD3 1020/4885RAD51 2422/4885HSD17B10 3169/4885

“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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