SCHEMBL12436875

SCHEMBL12436875

Nc1ncncc1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 5/20 0.42
GABRB2 P47870 5/20 0.42
GABRA1 P14867 4/20 0.42
GABRA4 P48169 4/20 0.42
GABRP O00591 3/20 0.42
GABRD O14764 3/20 0.42
GABRB1 P18505 3/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRA3 P34903 3/20 0.42
GABRA2 P47869 3/20 0.42
GABRE P78334 3/20 0.42
GABRA6 Q16445 3/20 0.42
GABRG1 Q8N1C3 3/20 0.42
GABRG3 Q99928 3/20 0.42
GABRQ Q9UN88 3/20 0.42
TKT P29401 1/20 0.39
CYP1A2 P05177 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 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
SCHEMBL907669 0.77 KDM4E (0.37) GABRA5GABRB2GABRA1GABRA4GABRP
SCHEMBL12877696 0.75
SCHEMBL7118818 0.75
SCHEMBL12436867 0.73 DHFR (0.47)
SCHEMBL28801533 0.73 GABRA5 (0.42) GABRA5GABRB2GABRA1GABRA4GABRP
SCHEMBL27845043 0.73 AGBL2 (0.41) GABRA5GABRB2GABRA1GABRA4GABRP
SCHEMBL907750 0.73 HSD17B10 (0.39) GABRA5GABRB2GABRA1GABRA4CYP1A2
SCHEMBL317516 0.73
SCHEMBL30988517 0.72 TKT (0.55) TKTCYP1A2KDM4ECYP3A4CYP2C19
SCHEMBL317515 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10036066-B2 In situ hybridization detection method DAKO DENMARK A/S (DK) 2018-07-31 US disclosed
US-9598720-B2 Monomeric and polymeric linkers useful for conjugating biological molecules and other substances DAKO DENMARK A/S (DK) 2017-03-21 US disclosed
US-9598720-B2 Monomeric and polymeric linkers useful for conjugating biological molecules and other substances DAKO DENMARK A/S (DK) 2017-03-21 US disclosed
US-20160273035-A1 IN SITU HYBRIDIZATION DETECTION METHOD DAKO DENMARK A/S (DK) 2016-09-22 US disclosed
US-20160273035-A1 IN SITU HYBRIDIZATION DETECTION METHOD DAKO DENMARK A/S (DK) 2016-09-22 US disclosed
US-9340824-B2 Immunohistochemistry detection method DAKO DENMARK A/S (DK) 2016-05-17 US disclosed
US-9340824-B2 Immunohistochemistry detection method DAKO DENMARK A/S (DK) 2016-05-17 US disclosed
CN-105579447-A Ethynyl derivatives HOFFMANN LA ROCHE 2016-05-11 CN disclosed
US-9017992-B2 In situ hybridization detection method DAKO DENMARK A/S (DK) 2015-04-28 US disclosed
US-9017992-B2 In situ hybridization detection method DAKO DENMARK A/S (DK) 2015-04-28 US disclosed
US-20100105030-A1 NUCLEIC ACID BASE PAIRS DAKO DENMARK A/S (DK) 2010-04-29 US disclosed
US-20100105030-A1 NUCLEIC ACID BASE PAIRS DAKO DENMARK A/S (DK) 2010-04-29 US disclosed
US-20100105145-A1 METHOD OF SIMULTANEOUSLY VISUALIZING MULTIPLE BIOLOGICAL TARGETS DAKO DENMARK A/S (DK) 2010-04-29 US disclosed
US-20100105145-A1 METHOD OF SIMULTANEOUSLY VISUALIZING MULTIPLE BIOLOGICAL TARGETS DAKO DENMARK A/S (DK) 2010-04-29 US disclosed
WO-2007031874-A9 METHOD OF SIMULTANEOUSLY VISUALIZING MULTIPLE BIOLOGICAL TARGETS DAKO DENMARK AS (DK) 2007-05-31 WO disclosed
WO-2007045998-A2 NEW NUCLEIC ACID BASE PAIRS DAKO DENMARK A/S (US) 2007-04-26 WO disclosed
WO-2007031874-A2 METHOD OF SIMULTANEOUSLY VISUALIZING MULTIPLE BIOLOGICAL TARGETS DAKO DENMARK A/S (US) 2007-03-22 WO disclosed
WO-2007026252-A2 IN SITU HYBRIDIZATION DETECTION METHOD DAKO DENMARK A/S (US) 2007-03-08 WO disclosed
WO-2007023390-A2 IMMUNOHISTOCHEMISTRY DETECTION METHOD DAKO DENMARK A/S (US) 2007-03-01 WO disclosed
WO-2007015168-A2 MONOMERIC AND POLYMERIC LINKERS USEFUL FOR CONJUGATING BIOLOGICAL MOLECULES AND OTHER SUBSTANCES DAKO DENMARK A/S (US) 2007-02-08 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-20100105030-A1 NUCLEIC ACID BASE PAIRS NSUN3, NCL, NSUN2 GABRA5 3443/4885GABRB2 2649/4885GABRA1 2659/4885

“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.