SCHEMBL7748684

SCHEMBL7748684

N=C(N)N/N=C/c1ccccc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.71
CYP1A2 P05177 2/20 0.58
RAB9A P51151 6/20 0.56
NPC1 O15118 6/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CYP2C19 P33261 1/20 0.56
GRIN2D O15399 2/20 0.54
GRIN3B O60391 2/20 0.54
GRIN1 Q05586 2/20 0.54
GRIN2A Q12879 2/20 0.54
GRIN2B Q13224 2/20 0.54
GRIN2C Q14957 2/20 0.54
GRIN3A Q8TCU5 2/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
GAA P10253 3/20 0.50
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
PSMD14 O00487 1/20 0.48

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
SCHEMBL31105725 1.00 MAOB (0.71) MAOBCYP1A2RAB9ANPC1ALDH1A1
SCHEMBL7748686 1.00 MAOB (0.71) MAOBCYP1A2RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL17560820 0.98 MAOB (0.69) MAOBCYP1A2RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL17560818 0.98 MAOB (0.69) MAOBCYP1A2RAB9ANPC1ALDH1A1
Acetic Acid SCHEMBL21519615 0.91 MAOB (0.60) MAOBCYP1A2RAB9ANPC1ALDH1A1
SCHEMBL19449729 0.86 MAOB (0.65) MAOBCYP1A2RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL19434712 0.84 MAOB (0.63) MAOBCYP1A2RAB9ANPC1ALDH1A1
SCHEMBL18131596 0.84 MAOB (0.51) MAOBCYP1A2RAB9ANPC1ALDH1A1
SCHEMBL18131598 0.84 MAOB (0.51) MAOBCYP1A2RAB9ANPC1ALDH1A1
SCHEMBL18133859 0.84 MAOB (0.51) MAOBCYP1A2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111896-A1 INHIBITORS AND THEIR USES MEDICAL RESEARCH COUNCIL (GB) 2018-04-26 US claimed
EP-3280405-A1 INHIBITORS AND THEIR USES Medical Research Council (GB) 2018-02-14 EP claimed
WO-2016162689-A1 INHIBITORS AND THEIR USES MEDICAL RESEARCH COUNCIL (GB) 2016-10-13 WO claimed
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO claimed
US-11337941-B2 Inhibitors and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2022-05-24 US disclosed
US-11337941-B2 Inhibitors and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2022-05-24 US disclosed
US-11331286-B2 Inhibitors and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2022-05-17 US disclosed
US-11331286-B2 Inhibitors and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2022-05-17 US disclosed
EP-3960729-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS Neoculi Pty Ltd (AU) 2022-03-02 EP disclosed
EP-2991968-B1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2021-11-10 EP disclosed
US-11154519-B2 Inhibitors and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2021-10-26 US disclosed
US-11154519-B2 Inhibitors and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2021-10-26 US disclosed
EP-3115357-A1 BENZYLIDENEGUANIDINE DERIVATIVES AND THERAPEUTIC USE FOR THE TREATMENT OF PROTEIN MISFOLDING DISEASES Medical Research Council (GB) 2017-01-11 EP disclosed
WO-2016162689-A1 INHIBITORS AND THEIR USES MEDICAL RESEARCH COUNCIL (GB) 2016-10-13 WO disclosed
WO-2016162689-A1 INHIBITORS AND THEIR USES MEDICAL RESEARCH COUNCIL (GB) 2016-10-13 WO disclosed
EP-2943467-B1 BENZYLIDENEGUANIDINE DERIVATIVES AND THERAPEUTIC USE FOR THE TREATMENT OF PROTEIN MISFOLDING DISEASES MEDICAL RES COUNCIL (GB) 2016-07-13 EP disclosed
US-20160046589-A1 Benzylideneguanidine Derivatives and Therapeutic Use for the Treatment of Protein Misfolding Diseases UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2016-02-18 US disclosed
EP-2943467-A1 BENZYLIDENEGUANIDINE DERIVATIVES AND THERAPEUTIC USE FOR THE TREATMENT OF PROTEIN MISFOLDING DISEASES Medical Research Council (GB) 2015-11-18 EP disclosed
WO-2014108520-A1 BENZYLIDENEGUANIDINE DERIVATIVES AND THERAPEUTIC USE FOR THE TREATMENT OF PROTEIN MISFOLDING DISEASES MEDICAL RESEARCH COUNCIL (GB) 2014-07-17 WO disclosed
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 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 (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-20180111896-A1 INHIBITORS AND THEIR USES PPP1R1B, PPP5C, PPP1R15A MAOB 3087/4885CYP1A2 4260/4885RAB9A 379/4885
US-11154519-B2 Inhibitors and their uses PPP1R1B, PPP5C, PPP1R15A MAOB 3087/4885CYP1A2 4260/4885RAB9A 379/4885
US-11331286-B2 Inhibitors and their uses PPP1R1B, PPP5C, PPP1R15A MAOB 3087/4885CYP1A2 4260/4885RAB9A 379/4885
US-20160046589-A1 Benzylideneguanidine Derivatives and Therapeutic Use for the Treatment of Protein Misfolding Diseases ATXN2L, BCL9L, ATXN10 MAOB 1017/4885CYP1A2 3698/4885RAB9A 88/4885
US-11337941-B2 Inhibitors and their uses PPP1R1B, PPP5C, PPP1R15A MAOB 3087/4885CYP1A2 4260/4885RAB9A 379/4885

“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.