SCHEMBL7748756

SCHEMBL7748756

N=C(N)N/N=C/c1cccc(F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.74
POLB P06746 1/20 0.58
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
PKM P14618 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 1/20 0.53
THPO P40225 1/20 0.53
CHRM5 P08912 1/20 0.53
GRM5 P41594 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
TP53 P04637 1/20 0.51
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL7748759 1.00 MAOB (0.74) MAOBPOLBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6522656 0.98 MAOB (0.72) MAOBPOLBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5703124 0.98 MAOB (0.72) MAOBPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL20148189 0.88 POLB (0.68) MAOBPOLBMEN1LMNAKMT2A
SCHEMBL6742923 0.88 POLB (0.68) MAOBPOLBMEN1LMNAKMT2A
SCHEMBL6742928 0.88 POLB (0.68) MAOBPOLBMEN1LMNAKMT2A
SCHEMBL17574199 0.87 MAOB (0.69) MAOBPOLBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL19434678 0.85 MAOB (0.67) MAOBPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL17561013 0.84 MAOB (0.74) MAOBPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL17561012 0.84 MAOB (0.74) MAOBPOLBNPC1RAB9ASMN1; SMN2

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 30 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
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
US-20180111896-A1 INHIBITORS AND THEIR USES MEDICAL RESEARCH COUNCIL (GB) 2018-04-26 US disclosed
US-20180111896-A1 INHIBITORS AND THEIR USES MEDICAL RESEARCH COUNCIL (GB) 2018-04-26 US disclosed
US-20180111896-A1 INHIBITORS AND THEIR USES MEDICAL RESEARCH COUNCIL (GB) 2018-04-26 US disclosed
EP-3280405-A1 INHIBITORS AND THEIR USES Medical Research Council (GB) 2018-02-14 EP disclosed
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2017-10-12 US 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
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 US 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 (6 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 3087/4885POLB 3558/4885NPC1 2476/4885
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAOB 1831/4885POLB 3872/4885NPC1 282/4885
US-11154519-B2 Inhibitors and their uses PPP1R1B, PPP5C, PPP1R15A MAOB 3087/4885POLB 3558/4885NPC1 2476/4885
US-11331286-B2 Inhibitors and their uses PPP1R1B, PPP5C, PPP1R15A MAOB 3087/4885POLB 3558/4885NPC1 2476/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 MAOB 1364/4885POLB 2406/4885NPC1 1533/4885
US-11337941-B2 Inhibitors and their uses PPP1R1B, PPP5C, PPP1R15A MAOB 3087/4885POLB 3558/4885NPC1 2476/4885

“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.