SCHEMBL4561815

SCHEMBL4561815

Cc1nn([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.36
TSHR P16473 3/20 0.35
CYP3A4 P08684 1/20 0.35
GPR35 Q9HC97 1/20 0.35
PKM P14618 2/20 0.35
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35
GRK5 P34947 1/20 0.35
LIMK1 P53667 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2760410 0.79 MAPT (0.47) MAPTALDH1A1TDP1POLBPKM
SCHEMBL2457768 0.78 NOS1 (0.50) NOS1NOS2MAPTALDH1A1TDP1
SCHEMBL6966179 0.76 MAPT (0.41) NOS1NOS2MAPTALDH1A1TDP1
SCHEMBL18463627 0.73 ALDH1A1 (0.52) MAPTALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL1558637 0.73 ALDH1A1 (0.36) NOS1NOS2MAPTALDH1A1TDP1
SCHEMBL1559362 0.72 L3MBTL1 (0.40) MAPTALDH1A1TDP1POLBTSHR
SCHEMBL26695904 0.72 MAPT (0.35) NOS1NOS2MAPTALDH1A1TDP1
SCHEMBL20555646 0.72 HTT (0.38) MAPTALDH1A1TDP1POLBHSD17B10
SCHEMBL22785871 0.72 MAPT (0.35) NOS1NOS2MAPTALDH1A1TDP1
SCHEMBL2182301 0.72 CYP3A4 (0.36) MAPTALDH1A1TDP1POLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111235597-B Synthesis method of nitroazole energetic compound 南京理工大学 2020-10-30 CN disclosed
CN-111235597-A Synthesis method of nitroazole energetic compound 南京理工大学 2020-06-05 CN disclosed
EP-2508182-B1 Hydralazine for use in the treatment of age-related macular degeneration TEXAS A & M UNIV SYS (US) 2016-07-06 EP disclosed
EP-2508183-B1 Interleukin-1 blocker for use in the treatment of age-related macular degeneration TEXAS A & M UNIV SYS (US) 2014-07-09 EP disclosed
US-20130059841-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2013-03-07 US disclosed
US-8318741-B2 Therapeutic compositions and methods THE TEXAS A & M UNIVERSITY SYSTEM (US) 2012-11-27 US disclosed
EP-2508182-A1 Hydralazine for use in the treatment of age-related macular degeneration THE TEXAS A & M UNIVERSITY SYSTEM (US) 2012-10-10 EP disclosed
EP-2508183-A1 Interleukin-1 blocker for use in the treatment of age-related macular degeneration THE TEXAS A & M UNIVERSITY SYSTEM (US) 2012-10-10 EP disclosed
US-20120196868-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-08-02 US disclosed
US-20120115959-A1 Therapeutic Compositions And Methods THE TEXAS A&M UNIVERSITY SYSTEM 2012-05-10 US disclosed
US-20120071485-A1 Therapeutic Compositions And Methods THE TEXAS A&M UNIVERSITY SYSTEM 2012-03-22 US disclosed
US-8088773-B2 Therapeutic compositions and methods THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-01-03 US disclosed
US-5885935-A Sulfonamide herbicides AGREVO UK LIMITED (GB) 1999-03-23 US disclosed
EP-0625970-B1 SULFONAMIDE HERBICIDES AGREVO UK LTD (GB) 1997-09-17 EP disclosed
US-5559081-A Sulfonamide herbicides AGREVO UK LIMITED (GB) 1996-09-24 US disclosed
EP-0625970-A1 SULFONAMIDE HERBICIDES. AGREVO UK LTD (GB) 1994-11-30 EP disclosed
WO-1993009099-A2 SULFONAMIDE HERBICIDES AGREVO UK LIMITED (GB) 1993-05-13 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 (4 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-20120115959-A1 Therapeutic Compositions And Methods PDE6C, PDE6H, PDE6D NOS1 805/4885NOS2 492/4885MAPT 1670/4885
US-20120071485-A1 Therapeutic Compositions And Methods PDE6H, PDE6C, PDE6D NOS1 2130/4885NOS2 1328/4885MAPT 1187/4885
US-20120196868-A1 THERAPEUTIC COMPOSITIONS AND METHODS PDE6H, PDE6C, PDE6D NOS1 2130/4885NOS2 1328/4885MAPT 1187/4885
US-20130059841-A1 THERAPEUTIC COMPOSITIONS AND METHODS PDE6H, PDE6C, PDE6D NOS1 2130/4885NOS2 1328/4885MAPT 1187/4885

“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.