SCHEMBL3523655

SCHEMBL3523655

CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(C(=O)NCCCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 1/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
CA12 O43570 5/20 0.52
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA9 Q16790 5/20 0.52
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MLYCD O95822 1/20 0.50

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
SCHEMBL14158944 0.97 ALDH1A1 (0.57) TDP1ALDH1A1NPC1RAB9APOLB
SCHEMBL29301875 0.94 TDP1 (0.54) TDP1ALDH1A1NPC1RAB9APOLB
SCHEMBL14679108 0.94 L3MBTL1 (0.61) TDP1ALDH1A1NPC1RAB9APOLB
SCHEMBL30905400 0.93 POLB (0.67) TDP1ALDH1A1NPC1RAB9APOLB
SCHEMBL29780267 0.93 ESRRG (0.53) TDP1ALDH1A1NPC1RAB9APOLB
SCHEMBL24412780 0.91 HDAC6 (0.57) TDP1ALDH1A1NPC1RAB9APOLB
SCHEMBL22939550 0.91 TDP1 (0.55) TDP1ALDH1A1NPC1RAB9AMAOA
SCHEMBL3904926 0.91 TDP1 (0.55) TDP1ALDH1A1NPC1RAB9AMAOA
SCHEMBL17623598 0.91 ALDH1A1 (0.51) TDP1ALDH1A1NPC1RAB9APOLB
SCHEMBL17623638 0.91 ESRRG (0.57) TDP1ALDH1A1NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
EP-1968969-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007071396-A2 PYRAZINOYLGUANIDINE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2007-06-28 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-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 TDP1 2717/4885ALDH1A1 567/4885NPC1 1093/4885

“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.