SCHEMBL693363

SCHEMBL693363

F[B-](F)(F)F.N#[N+]c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAOB P27338 5/20 0.53
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MAOA P21397 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BCHE P06276 1/20 0.49
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47

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
SCHEMBL11073984 0.93 LMNA (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL28141267 0.90 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL30701898 0.83 MAOB (0.51) MAOBMAOABCHENR4A2ALOX5
SCHEMBL17187134 0.83 MAOB (0.51) MAOBMAOABCHENR4A2ALOX5
Boric Acid SCHEMBL3219236 0.83 CYP1A2 (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL18549916 0.82 LMNA (0.63) LMNACYP1A2PTGS1SLC6A2CYP2C19
Acetamide SCHEMBL3217821 0.81 MAOB (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
Trifluoromethanesulfonic Acid SCHEMBL11066760 0.81 PTPRZ1 (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6801696 0.78 MRGPRX4 (0.54) MAOBMAOARAB9AALOX5CA12
SCHEMBL339813 0.78 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041876-A1 PROCESS FOR PREPARING AROMATIC DIAZONIUM SALTS ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2010-02-18 US claimed
CN-118005593-A Preparation method of 2, 3-disubstituted chromone compound 昆明理工大学 2024-05-10 CN disclosed
US-20130053598-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2013-02-28 US disclosed
EP-2421822-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT Zylum Beteiligungsgesellschaft mbH & Co. Patente II KG (DE) 2012-02-29 EP disclosed
WO-2010122105-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2010-10-28 WO disclosed
EP-2243768-A1 Phenolic diazonium salt, method for its production and its application Zylum Beteiligungsgesellschaft mbH & Co. Patente II KG (DE) 2010-10-27 EP disclosed
US-20100041876-A1 PROCESS FOR PREPARING AROMATIC DIAZONIUM SALTS ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2010-02-18 US disclosed
EP-1034164-B1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2004-05-19 EP disclosed
US-6645939-B1 Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment MERCK & CO., INC. 2003-11-11 US disclosed
US-6420418-B1 INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE MERCK & CO., INC. 2002-07-16 US disclosed
EP-1034164-A4 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2001-07-11 EP disclosed
WO-2001012183-A1 HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2001-02-22 WO disclosed
EP-1034164-A1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2000-09-13 EP disclosed
WO-1999026921-A1 SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-06-03 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 (2 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-20100041876-A1 PROCESS FOR PREPARING AROMATIC DIAZONIUM SALTS AHNAK, NAT1, HNMT LMNA 3176/4885CYP1A2 362/4885PTGS1 3220/4885
US-20130053598-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT CBR3, CBR1, NOX3 LMNA 2854/4885CYP1A2 1689/4885PTGS1 4224/4885

“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.