SCHEMBL6683050

SCHEMBL6683050

CCCCCCC(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH2 Q9NR71 1/20 0.47
KCNH2 Q12809 2/20 0.47
MAPT P10636 7/20 0.46
ALDH1A1 P00352 5/20 0.45
MGLL Q99685 1/20 0.45
KCNJ1 P48048 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 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
SCHEMBL6683966 0.98 MAPT (0.47) ASAH2KCNH2MAPTALDH1A1MGLL
SCHEMBL6680576 0.93 MAPT (0.49) ASAH2KCNH2MAPTALDH1A1MGLL
SCHEMBL19788211 0.86 KCNJ1 (0.48) KCNH2MAPTALDH1A1KCNJ1L3MBTL1
SCHEMBL17294442 0.85 CYP19A1 (0.51) ASAH2KCNH2MAPTALDH1A1MGLL
SCHEMBL10607585 0.84 ASAH2 (0.47) ASAH2KCNH2MAPTALDH1A1MGLL
SCHEMBL10610870 0.84 ASAH2 (0.47) ASAH2KCNH2MAPTALDH1A1MGLL
SCHEMBL28047548 0.84 POLB (0.39) ASAH2KCNH2MAPTALDH1A1MGLL
SCHEMBL6684351 0.82 SLC2A1 (0.44) TSHR
SCHEMBL9137197 0.82 SLC2A1 (0.44) TSHR
SCHEMBL10607510 0.82 MAPT (0.47) ASAH2KCNH2MAPTALDH1A1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 US disclosed
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2020-12-24 US disclosed
US-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-10-27 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-5618980-A DEHYDROGENATING N-CYCLOHEXYLIDENEAMINO COMPOUND IN PRESENCE OF HYDROGEN TRANSFER CATALYST AND HYDROGEN ACCEPTOR AND ALKALI OR ALKALINE EARTH METAL COMPOUND COCATALYST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-04-08 US disclosed
EP-0588060-B1 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0753505-A2 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-01-15 EP disclosed
US-5536878-A HYDROGEN ACCEPTOR MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-16 US disclosed
US-5382690-A Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-01-17 US disclosed
EP-0588060-A2 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-03-23 EP disclosed
EP-0103990-A1 Process for making diarylamines UNIROYAL, INC. (US) 1984-03-28 EP disclosed
US-4431841-A REACTING PRIMARY AROMATIC AMINES AND ALICYCLIC KETONES USING AN ACID PROMOTER AND A PLATINUM CATALYST UNIROYAL, INC. (US) 1984-02-14 US 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 (5 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-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus SIRT1, SIRT2, SIRT7 ASAH2 2674/4885KCNH2 4837/4885MAPT 2621/4885
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 ASAH2 274/4885KCNH2 3844/4885MAPT 154/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR ASAH2 580/4885KCNH2 1954/4885MAPT 2129/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 ASAH2 282/4885KCNH2 3750/4885MAPT 182/4885
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 ASAH2 981/4885KCNH2 2249/4885MAPT 839/4885

“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.