SCHEMBL3462833

SCHEMBL3462833

COc1ccc([N+](=O)[O-])cc1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
HTT P42858 3/20 0.58
KMT2A Q03164 6/20 0.55
POLB P06746 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
PKM P14618 1/20 0.52
MEN1 O00255 5/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
BLM P54132 1/20 0.52
RAB9A P51151 1/20 0.52
CYP19A1 P11511 1/20 0.51
PTGS2 P35354 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 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
SCHEMBL2983636 0.87 HTT (0.63) TDP1HTTKMT2APOLBL3MBTL1
SCHEMBL4929690 0.86 CTSV (0.55) TDP1HTTKMT2APOLBPKM
Zinc Ion SCHEMBL9192290 0.85 TDP1 (0.58) TDP1HTTKMT2APOLBPKM
SCHEMBL15486505 0.85 TDP1 (0.58) TDP1HTTKMT2APOLBPKM
SCHEMBL3884099 0.85 TDP1 (0.58) TDP1HTTKMT2APOLBPKM
SCHEMBL1671926 0.85 CTSV (0.60) TDP1HTTKMT2APOLBKDM4E
SCHEMBL3888450 0.84 TDP1 (0.57) TDP1HTTKMT2APOLBPKM
SCHEMBL9192295 0.84 CTSV (0.59) TDP1HTTKMT2APOLBL3MBTL1
SCHEMBL15486503 0.84 CTSV (0.59) TDP1HTTKMT2APOLBL3MBTL1
SCHEMBL15486506 0.84 CTSV (0.59) TDP1HTTKMT2APOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
US-10294218-B2 4,6-disubstituted aminopyrimidine derivatives have anti-HIV activity VIROSTATICS SRL (IT) 2019-05-21 US disclosed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-2887943-B1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES VIROSTATICS SRL (IT) 2017-12-06 EP disclosed
EP-2887943-B1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES VIROSTATICS SRL (IT) 2017-12-06 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
EP-1066288-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2001-01-10 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
WO-1999042465-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 1999-08-26 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-10294218-B2 4,6-disubstituted aminopyrimidine derivatives have anti-HIV activity DUT, UMPS, DPYD TDP1 485/4885HTT 3928/4885KMT2A 1615/4885

“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.