SCHEMBL17574199

SCHEMBL17574199

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.69
NPC1 O15118 9/20 0.57
RAB9A P51151 9/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
TDP1 Q9NUW8 1/20 0.57
PKM P14618 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 1/20 0.56
MAPK1 P28482 1/20 0.56
THPO P40225 1/20 0.56
CHRM5 P08912 1/20 0.56
GRM5 P41594 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
LMNA P02545 1/20 0.51

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 SCHEMBL19434678 0.98 MAOB (0.67) MAOBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL13673642 0.92 MAOB (0.63) MAOBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL13673641 0.92 MAOB (0.63) MAOBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL20878197 0.91 MAOB (0.62) MAOBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL7748759 0.87 MAOB (0.74) MAOBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL7748756 0.87 MAOB (0.74) MAOBNPC1RAB9ASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL5703124 0.85 MAOB (0.72) MAOBNPC1RAB9ASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL6522656 0.85 MAOB (0.72) MAOBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL17560827 0.83 MAOB (0.69) MAOBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL19449612 0.83 MAOB (0.79) MAOBNPC1RAB9ASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566012-B2 Methods for treating protozoan infections NEOCULI PTY LTD (AU) 2023-01-31 US disclosed
US-20220267258-A1 ROBENIDINE ANALOGS AS POTENT ANTIMALARIALS AGAINST DRUG-RESISTANT PLASMODIUM FALCIPARUM UNIV OREGON HEALTH & SCIENCE (US) 2022-08-25 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
EP-3188722-B1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2021-08-04 EP disclosed
US-20210009552-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2021-01-14 US disclosed
US-10829468-B2 Methods for treating protozoan infections NEOCULI PTY LTD. (AU) 2020-11-10 US disclosed
US-20200290990-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2020-09-17 US disclosed
US-10752606-B2 Methods for treating protozoan infections NEOCULI PTY LTD. (AU) 2020-08-25 US disclosed
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2020-04-02 US disclosed
US-10562880-B2 Methods for treating protozoan infections NEOCULI PTY LTD. (AU) 2020-02-18 US disclosed
US-20190330178-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2019-10-31 US disclosed
US-10392363-B2 Methods for treating protozoan infections NEOCULI PTY LTD. (AU) 2019-08-27 US disclosed
US-10370341-B2 Compounds and methods of treating infections NEOCULI PTY LTD (AU) 2019-08-06 US disclosed
US-10253002-B2 Compounds and methods of treating infections NEOCULI PTY LTD (AU) 2019-04-09 US disclosed
US-20190084941-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2019-03-21 US disclosed
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2017-10-12 US disclosed
WO-2016033635-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2016-03-10 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 (14 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-20190084941-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS ELANE, IL1A, IL1B MAOB 641/4885NPC1 813/4885RAB9A 3788/4885
US-11566012-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS MAOB 1831/4885NPC1 282/4885RAB9A 3198/4885
US-20200290990-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAOB 1831/4885NPC1 282/4885RAB9A 3198/4885
US-10370341-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B MAOB 641/4885NPC1 813/4885RAB9A 3788/4885
US-20210009552-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAOB 1831/4885NPC1 282/4885RAB9A 3198/4885
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAOB 1831/4885NPC1 282/4885RAB9A 3198/4885
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAOB 1831/4885NPC1 282/4885RAB9A 3198/4885
US-20190330178-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAOB 1831/4885NPC1 282/4885RAB9A 3198/4885
US-10829468-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS MAOB 1831/4885NPC1 282/4885RAB9A 3198/4885
US-10562880-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS MAOB 1831/4885NPC1 282/4885RAB9A 3198/4885
US-10752606-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS MAOB 1831/4885NPC1 282/4885RAB9A 3198/4885
US-20220267258-A1 ROBENIDINE ANALOGS AS POTENT ANTIMALARIALS AGAINST DRUG-RESISTANT PLASMODIUM FALCIPARUM CYP3A43, CYP2C9, CYP3A4 MAOB 1072/4885NPC1 178/4885RAB9A 73/4885
US-10392363-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS MAOB 1831/4885NPC1 282/4885RAB9A 3198/4885
US-10253002-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B MAOB 641/4885NPC1 813/4885RAB9A 3788/4885

“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.