SCHEMBL1674342

SCHEMBL1674342

CN1CCC(COc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.73
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ACHE P22303 1/20 0.49
LTA4H P09960 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
SIRT6 Q8N6T7 1/20 0.48
F2 P00734 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47

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
SCHEMBL2566683 0.86 SIGMAR1 (0.78) SIGMAR1LTA4HPTGS1PTGS2HRH3
SCHEMBL3190605 0.85 SIGMAR1 (0.61) SIGMAR1LTA4HPTGS1PTGS2HRH3
SCHEMBL7362580 0.84 SIGMAR1 (1.00) SIGMAR1
SCHEMBL27935616 0.84 SIGMAR1 (0.67) SIGMAR1F2ALDH1A1SMN1; SMN2
SCHEMBL26378417 0.84 CHRNB4 (0.68) SIGMAR1NPC1RAB9AACHELTA4H
SCHEMBL27935608 0.83 SIGMAR1 (0.70) SIGMAR1ACHEF2KDM4EALDH1A1
SCHEMBL27935609 0.83 SIGMAR1 (0.70) SIGMAR1ACHELTA4HPTGS1PTGS2
SCHEMBL2562011 0.83 SIGMAR1 (0.69) SIGMAR1LTA4HPTGS1PTGS2HRH3
SCHEMBL22126801 0.82 SIGMAR1 (0.68) SIGMAR1ACHEF2KDM4EALDH1A1
SCHEMBL2759959 0.82 SIGMAR1 (0.68) SIGMAR1ALDH1A1SMN1; SMN2

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994000-B1 WATER-SOLUBLE CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA BV (NL) 2017-08-23 EP disclosed
EP-1994000-B1 WATER-SOLUBLE CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA BV (NL) 2017-08-23 EP disclosed
US-8940784-B2 Water-soluble CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2015-01-27 US disclosed
US-8940784-B2 Water-soluble CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2015-01-27 US disclosed
EP-2027124-B1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV (BE) 2013-07-03 EP disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
CN-101415679-A Water-soluble CC-1065 analogs and conjugates thereof SINTAGAR B V (NL) 2009-04-22 CN disclosed
EP-1994000-A2 WATER-SOLUBLE CC-1065 ANALOGS AND THEIR CONJUGATES Syntarga B.V. (NL) 2008-11-26 EP disclosed
WO-2008054956-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-05-08 WO disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 US disclosed
WO-2007089149-A2 WATER-SOLUBLE CC-1065 ANALOGS AND THEIR CONJUGATES SYNTARGA B.V. (NL) 2007-08-09 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 (3 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-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 SIGMAR1 4093/4885NPC1 3703/4885POLB 1053/4885
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases IKZF3, IRAK2, IRAK1 SIGMAR1 1565/4885NPC1 2557/4885POLB 2814/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 SIGMAR1 4093/4885NPC1 3703/4885POLB 1053/4885

“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.