SCHEMBL2880522

SCHEMBL2880522

CC(c1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.64
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
LMNA P02545 1/20 0.46
BLM P54132 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
SCHEMBL8357228 1.00 ALOX5 (0.64) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL12509164 0.88 ALOX5 (0.53) ALOX5
SCHEMBL8807487 0.79 ALOX5 (0.69) ALOX5
SCHEMBL6438420 0.78 ALOX5 (1.00) ALOX5
SCHEMBL9201328 0.78 ALOX5 (1.00) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL9201340 0.78 ALOX5 (1.00) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL1807930 0.78 ALOX5 (1.00) ALOX5
SCHEMBL8590069 0.78 ALOX5 (1.00) ALOX5
SCHEMBL8806155 0.77 ALOX5 (0.74) ALOX5MAPTMEN1ALDH1A1KMT2A
SCHEMBL9365720 0.77 ALOX5 (0.57) ALOX5MAPTMEN1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288551-B2 Targeted nitroxide agents UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-10-16 US disclosed
US-20120207687-A1 TOPICAL FORMULATIONS OF TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-08-16 US disclosed
US-20120004263-A1 Compounds for the treatment of pathologies associated with aging and degenerative disorders UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-01-05 US disclosed
WO-2010009405-A9 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-03-25 WO disclosed
US-20100035869-A1 TARGETED NITROXIDE AGENTS PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION, UNIVERSITY OF 2010-02-11 US disclosed
WO-2010009405-A2 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-01-21 WO disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
US-20090042808-A1 USE OF MITOCHONDRIA-TARGETED ELECTRON SCAVENGERS AS ANTI-INFLAMMATORY AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-12 US disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 US 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 (6 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-20120207687-A1 TOPICAL FORMULATIONS OF TARGETED NITROXIDE AGENTS NOX1, OGG1, NOX5 ALOX5 549/4885MAPT 1156/4885MEN1 4054/4885
US-20120004263-A1 Compounds for the treatment of pathologies associated with aging and degenerative disorders GLA, AGER, SIRT1 ALOX5 695/4885MAPT 143/4885MEN1 3812/4885
US-20090042808-A1 USE OF MITOCHONDRIA-TARGETED ELECTRON SCAVENGERS AS ANTI-INFLAMMATORY AGENTS HAGH, COX5B, HSPE1 ALOX5 932/4885MAPT 3147/4885MEN1 4374/4885
US-20100035869-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 ALOX5 2163/4885MAPT 1583/4885MEN1 3895/4885
US-20090220583-A1 Method and composition for treating inflammatory disorders LIPA, HRH2, HRH1 ALOX5 25/4885MAPT 2546/4885MEN1 3370/4885
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas LTB4R, LTA4H, LTA ALOX5 10/4885MAPT 4859/4885MEN1 2330/4885

“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.