SCHEMBL1714549

SCHEMBL1714549

N#Cc1ccc(OC/C=C/CBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MMP2 P08253 2/20 0.39
AOC3 Q16853 1/20 0.39
MMP3 P08254 1/20 0.39
MAOA P21397 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
GSK3B P49841 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL1714552 1.00 MAOB (0.44) MAOBALDH1A1MAPTMMP2AOC3
SCHEMBL8047800 0.88 ALDH1A1 (0.49) ALDH1A1MAPTMMP2MMP3GSK3B
SCHEMBL8905081 0.88 ALDH1A1 (0.49) ALDH1A1MAPTMMP2MMP3GSK3B
SCHEMBL12989579 0.82 MAOB (0.48) MAOBALDH1A1MAPTMMP2MMP3
SCHEMBL12461372 0.81 AOC3 (0.61) MAOBALDH1A1MAPTMMP2AOC3
SCHEMBL1714415 0.81 MAOB (0.44) MAOBALDH1A1MAPTMMP2AOC3
SCHEMBL1714419 0.81 MAOB (0.44) MAOBALDH1A1MAPTMMP2AOC3
SCHEMBL27269757 0.79 MAOB (0.46) MAOBALDH1A1MAPTMMP2MMP3
SCHEMBL14393463 0.79 MAOB (0.42) MAOBALDH1A1MAPTMMP2AOC3
SCHEMBL12461369 0.77 MAOB (0.41) MAOBALDH1A1MAPTMMP2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113766914-B Pentaneamidine analogues and uses thereof 美商奥润沙公司 2024-02-13 CN disclosed
CN-113766914-A Pentamidine analogs and uses thereof 美商奥润沙公司 2021-12-07 CN disclosed
EP-3897600-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR Auransa Inc. (US) 2021-10-27 EP disclosed
WO-2020132636-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR AURANSA INC. (US) 2020-06-25 WO disclosed
WO-2020132636-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR AURANSA INC. (US) 2020-06-25 WO disclosed
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed
US-7960417-B2 Such as 1-(2,2-dimethylpropyl)-4-propyl-5-{4-[4-(1H-tetrazol-5-yl)phenoxy]butoxy}-1H-indole; neurological and psychiatric disorders MERCK SHARP & DOHME CORP. (US) 2011-06-14 US disclosed
US-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors MERCK SHARP & DOHME CORP. 2008-07-24 US disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-20050113424-A1 Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD (JP) 2005-05-26 US disclosed
EP-1481966-A1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-12-01 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-20050113424-A1 Novel arylamidine derivative or salt thereof SLC7A1, NAT1, NACA MAOB 1727/4885ALDH1A1 2071/4885MAPT 4113/4885
US-20080176904-A1 Benzazole Potentiators of Metabotropic Glutatmate Receptors GRM2, GRM3, GRIK2 MAOB 2882/4885ALDH1A1 2230/4885MAPT 2034/4885

“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.