Sugi Predict

Sugi Predict / Compounds / SCHEMBL4486092

SCHEMBL4486092

SCHEMBL4486092

CC(=O)Nc1c([N+](=O)[O-])ccc2c1C(=O)OC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ TYMS P04818 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL15641992 0.77 CA1 (0.54) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL9185883 0.75 KMT2A (0.56) MAPTMEN1KMT2APOLBHTT
SCHEMBL7703727 0.73 TYMS (0.45) MAPTMCL1GAAKDM4EMEN1
SCHEMBL6556695 0.71 ALDH1A1 (0.46) MAPTMCL1MEN1KMT2APOLB
SCHEMBL1825474 0.71 TDP1 (0.47) MAPTMCL1KDM4EMEN1KMT2A
SCHEMBL4959463 0.71 POLB (0.38) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL30002032 0.71 ALDH1A1 (0.47) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL27795562 0.71 ALDH1A1 (0.47) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL22463087 0.70 BAZ2B (0.43) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL30939738 0.70 ALDH1A1 (0.47) MAPTGAAKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100330685-A1 DIAMINORHODAMINE DERIVATIVE Nagano, Tetsuo (JP) 2010-12-30 — — US disclosed
US-20100330685-A1 DIAMINORHODAMINE DERIVATIVE Nagano, Tetsuo (JP) 2010-12-30 — — US disclosed
US-20100029010-A1 Diaminorhodamine Derivative Nagano, Tetsuo (JP) 2010-02-04 — — US disclosed
US-20100029010-A1 Diaminorhodamine Derivative Nagano, Tetsuo (JP) 2010-02-04 — — US disclosed
US-7618997-B2 Diaminofluorescein derivatives SEKISUI MEDICAL CO., LTD. (JP) 2009-11-17 — — US disclosed
US-7618997-B2 Diaminofluorescein derivatives SEKISUI MEDICAL CO., LTD. (JP) 2009-11-17 — — US disclosed
US-20080108141-A1 DIAMINORHODAMINE DERIVATIVE Nagano, Tetsuo (JP) 2008-05-08 — — US disclosed
US-20080108141-A1 DIAMINORHODAMINE DERIVATIVE Nagano, Tetsuo (JP) 2008-05-08 — — US disclosed
US-20070117211-A1 Diaminofluorescein derivatives DAIICHI PURE CHEMICALS CO., LTD. (JP) 2007-05-24 — — US disclosed
US-20070117211-A1 Diaminofluorescein derivatives DAIICHI PURE CHEMICALS CO., LTD. (JP) 2007-05-24 — — US disclosed
US-6833386-B2 Are useful as agents for measurement of nitrogen monoxide. DAIICHI PURE CHEMICALS CO., LTD. (JP) 2004-12-21 — — US disclosed
US-20030171600-A1 Diaminofluorescein derivatives DAIICHI PURE CHEMICALS CO., LTD. (JP) 2003-09-11 — — US disclosed
EP-1000941-B1 DIAMINORHODAMINE DERIVATIVES NAGANO TESTUO (JP) 2003-08-13 — — EP disclosed
US-6569892-B2 Useful as agent for measurement of nitrogen monoxide, also for measuring intracellular nitrogen monoxide concentration of an individual DAIICHI PURE CHEMICALS CO., LTD. (JP) 2003-05-27 — — US disclosed
US-6469051-B2 THE XANTHENE COMPOUND REACTS WITH NITRIC OXIDE TO GIVE A TRIAZOLE FLUORESCENT COMPOUND THAT EMITS STRONG FLUORESCENCE BY IRRADIATION WITH EXCITATION LIGHT OF LONG WAVELENGTH Nagano, Tetsuo (JP) 2002-10-22 — — US disclosed
US-20020137225-A1 Diaminofluorescein derivatives DAIICHI PURE CHEMICALS CO., LTD. (JP) 2002-09-26 — — US disclosed
US-6441197-B1 4-AMINO-5-(N-METHYLAMINO)-2',7'-DIFLUORO-3',6'-DIHYDROXY-SPIRO (ISOBENZOFURAN-1,9'-XANTHEN)-3-ONE; DIRECT, ACCURATE, HIGHLY SENSITIVE INTRACELLULAR FLUORESCENT MEASUREMENT OF NITROGEN MONOXIDE; NONDAMAGING TO TISSUES AND CELLS; LIGHT STABLE DAIICHI PURE CHEMICALS CO., LTD. (JP) 2002-08-27 — — US disclosed
US-20010001800-A1 Diaminorhodamine derivative Nagano, Tetsuo (JP) 2001-05-24 — — US disclosed
US-6201134-B1 NITRIC OXIDE MEASUREMENT TETSUO NAGANO (JP) 2001-03-13 — — US disclosed
EP-1000941-A1 DIAMINORHODAMINE DERIVATIVES Nagano, Testuo (JP) 2000-05-17 — — EP 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 (7 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-20100330685-A1 DIAMINORHODAMINE DERIVATIVE NOS2, NOS1, NOS3 MAPT 4542/4885MCL1 1964/4885GAA 4515/4885
US-20080108141-A1 DIAMINORHODAMINE DERIVATIVE NOS2, PRMT1, ARG1 MAPT 4551/4885MCL1 1814/4885GAA 4593/4885
US-20010001800-A1 Diaminorhodamine derivative ARGLU1, ARG1, NOS1 MAPT 4424/4885MCL1 181/4885GAA 3165/4885
US-20020137225-A1 Diaminofluorescein derivatives PRMT1, ARGLU1, DAO MAPT 4354/4885MCL1 1127/4885GAA 3721/4885
US-20070117211-A1 Diaminofluorescein derivatives NOS2, NOS3, NOS1 MAPT 4325/4885MCL1 1845/4885GAA 4029/4885
US-20100029010-A1 Diaminorhodamine Derivative NOS2, NOS1, NOS3 MAPT 4542/4885MCL1 1964/4885GAA 4515/4885
US-20030171600-A1 Diaminofluorescein derivatives PRMT1, ARGLU1, DAO MAPT 4354/4885MCL1 1127/4885GAA 3721/4885

“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.