SCHEMBL2086471

SCHEMBL2086471

COc1c(O)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.62
ERN1 O75460 1/20 0.46
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SNCA P37840 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 5/20 0.39
GPR35 Q9HC97 1/20 0.39
DBH P09172 1/20 0.39
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
G6PD P11413 1/20 0.37

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
SCHEMBL11393390 0.87 TPMT (0.49) TPMTERN1MEN1KMT2ATDP1
SCHEMBL13557412 0.82 TPMT (0.66) TPMTMEN1KMT2ASNCATDP1
SCHEMBL2088203 0.82 TUBB4A (0.49) TPMTABCB1ABCC1MEN1KMT2A
SCHEMBL4069709 0.81 TPMT (0.64) TPMTABCB1ABCC1MEN1KMT2A
SCHEMBL31447509 0.81 TPMT (0.64) TPMTERN1MEN1KMT2ATDP1
SCHEMBL8680266 0.81 TPMT (0.64) TPMTERN1MEN1KMT2ATDP1
Methoxymethane SCHEMBL27733049 0.81 ERN1 (0.56) ERN1ABCB1ABCC1MEN1KMT2A
SCHEMBL20523543 0.79 TPMT (0.43) TPMTERN1MEN1KMT2ATDP1
SCHEMBL2306549 0.79 TPMT (0.43) TPMTERN1ABCB1ABCC1MEN1
SCHEMBL5207454 0.79 TPMT (0.43) TPMTERN1ABCB1ABCC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103230389-A Novel nitrocatechol derivatives having selectin ligand activity REVOTAR BIOPHARMACEUTICALS AG 2013-08-07 CN disclosed
CN-101374508-B Novel nitrocatechol derivatives having selectin ligand activity REVOTAR BIOPHARMACEUTICALS AG 2013-04-24 CN disclosed
US-20110053939-A1 NOVEL AROMATIC NITRO COMPOUNDS REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-03-03 US disclosed
US-7851501-B2 Aromatic nitrocatechol compounds and their use for modulating processes mediated by cell adhesion molecules REVOTAR BIOPHARMACEUTICALS AG (DE) 2010-12-14 US disclosed
US-20090105280-A1 Novel Aromatic Nitro Compounds REVOTAR BIOPHARMACEUTICALS AG (DE) 2009-04-23 US disclosed
CN-101374508-A Novel nitrocatechol derivatives having selectin ligand activity REVOTAR BIOPHARMACEUTICALS AG (DE) 2009-02-25 CN disclosed
EP-1937238-A1 NOVEL NITROCATECHOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY Revotar Biopharmaceuticals AG (DE) 2008-07-02 EP disclosed
WO-2007039114-A1 NOVEL NITROCATECHOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 WO disclosed
EP-1764095-A1 Novel nitrocatechol derivatives having selectin ligand activity Revotar Biopharmaceuticals AG (DE) 2007-03-21 EP disclosed
US-6221863-B1 TREATING DEPRESSION IN A PATIENT AMERICAN HOME PRODUCTS CORP. 2001-04-24 US disclosed
WO-2000040581-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 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 (2 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-20090105280-A1 Novel Aromatic Nitro Compounds SELP, SELE, SELL TPMT 751/4885ERN1 2685/4885ABCB1 12/4885
US-20110053939-A1 NOVEL AROMATIC NITRO COMPOUNDS SELP, SELE, SELL TPMT 751/4885ERN1 2685/4885ABCB1 12/4885

“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.