SCHEMBL2965372

SCHEMBL2965372

CN(C)N(C=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 2/20 0.38
S1PR4 O95977 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
CCR6 P51684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR9 Q9NR96 1/20 0.38
ALOX15 P16050 1/20 0.36
RELA Q04206 1/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
CA2 P00918 2/20 0.35
CYP2A6 P11509 1/20 0.35

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
Hydrochloric Acid SCHEMBL27729963 0.98 MEN1 (0.43) MEN1KMT2AHTTALDH1A1NPSR1
SCHEMBL28192432 0.82 PTGS2 (0.42) MEN1KMT2AHTTALDH1A1NPSR1
SCHEMBL7593557 0.78 ALDH1A1 (0.37) MEN1KMT2AHTTALDH1A1NPSR1
SCHEMBL4473709 0.77 CYP2A6 (0.31) CYP2A6
SCHEMBL7410822 0.77 ALDH1A1 (0.50) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL28192965 0.77 CYP3A4 (0.42) MEN1KMT2AHTTALDH1A1NPSR1
SCHEMBL7656934 0.77 NPSR1 (0.39) MEN1KMT2AHTTALDH1A1NPSR1
SCHEMBL3242845 0.76 MEN1 (0.39) MEN1KMT2AHTTALDH1A1NPSR1
SCHEMBL3245495 0.76 ALDH1A1 (0.44) MEN1KMT2AHTTALDH1A1MAPK1
SCHEMBL7666215 0.76 NPSR1 (0.38) MEN1KMT2AHTTALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US claimed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US claimed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP claimed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US claimed
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
CN-101356159-A Substituted isoquinoline-1, 3(2H,4H) -diones, 1-thio-1, 4-dihydro-2H-isoquinoline-3-ones and 1, 4-dihydro-3 (2H) -isoquinolones and their use as kinase inhibitors WYETH CORP (US) 2009-01-28 CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-1997041104-A1 QUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-06 WO disclosed
WO-1997028153-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-07 WO disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 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 (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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885HTT 472/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885HTT 472/4885

“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.