SCHEMBL1929601

SCHEMBL1929601

NCCc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 6/20 0.42
SLC2A1 P11166 1/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
AGTR1 P30556 1/20 0.41

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
SCHEMBL10992041 0.88 ADRA2A (0.46) ADRA2AADRA2BADRA2CPOLBPKM
SCHEMBL31456058 0.85 LOXL2 (0.52) ADRA2AADRA2BADRA2CPOLBPKM
SCHEMBL28062194 0.82 POLB (0.46) ADRA2AADRA2BADRA2CPOLBPKM
SCHEMBL14658480 0.82 TSHR (0.55) ADRA2AADRA2BADRA2CPOLBPKM
SCHEMBL8200767 0.82 POLB (0.49) ADRA2AADRA2BADRA2CPOLBPKM
SCHEMBL22557298 0.80 ADRA2A (0.49) ADRA2AADRA2BADRA2CPOLBPKM
SCHEMBL13555429 0.79 MAPT (0.49) ADRA2AADRA2BADRA2CPOLBPKM
SCHEMBL12526403 0.79 ADRA2A (0.48) ADRA2AADRA2BADRA2CPOLBPKM
SCHEMBL29966397 0.79 ADRA2A (0.48) ADRA2AADRA2BADRA2CPOLBPKM
SCHEMBL9657467 0.78 FFAR1 (0.50) ADRA2AADRA2BADRA2CPOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
US-8506945-B2 Polymers with structure-defined functions SMITH & NEPHEW, PLC. (GB) 2013-08-13 US disclosed
US-20110300096-A1 Polymers With Structure-Defined Functions GREENER BRYAN (GB) 2011-12-08 US disclosed
US-7955594-B2 Maleic anhydride-methyl vinyl ether copolymers; polyamic acids; medical implant device, dressing, scaffold, or fluid adhesive for treatment or prophylaxis of wounds; enhanced activity of protease inhibitors and neurotransmitter drugs SMITH & NEPHEW, PLC (GB) 2011-06-07 US disclosed
US-20050032929-A1 Polymers with structure-defined functions SMITH & NEPHEW, PLC (GB) 2005-02-10 US disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1436334-A1 POLYMERS WITH STRUCTURE-DEFINED FUNCTIONS Smith & Nephew PLC (GB) 2004-07-14 EP disclosed
WO-2003027154-A1 POLYMERS WITH STRUCTURE-DEFINED FUNCTIONS SMITH & NEPHEW PLC (GB) 2003-04-03 WO disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
US-5460754-A Non-linear optical material, method of manufacturing the same and optical wavelength converter MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1995-10-24 US disclosed
US-5346653-A Non-linear optical material, method of manufacturing the same and optical wavelength converter MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1994-09-13 US disclosed
EP-0500050-A2 Non-linear optical materials, method of manufacturing the same and optical wave length converter MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1992-08-26 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 (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-20110300096-A1 Polymers With Structure-Defined Functions MMP1, MMP8, ADAM12 ADRA2A 1909/4885ADRA2B 2569/4885ADRA2C 1492/4885

“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.