SCHEMBL16224332

SCHEMBL16224332

C/C(=N\NC(=N)N/N=C(\C)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
ALOX12 P18054 1/20 0.64
ESRRG P62508 1/20 0.62
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
THRB P10828 1/20 0.47
AGTR1 P30556 1/20 0.47
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.43

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 SCHEMBL17560749 0.98 MAPT (0.62) MAPTALOX12ESRRGALDH1A1L3MBTL1
SCHEMBL19449656 0.90 MAPT (0.57) MAPTALOX12ESRRGALDH1A1L3MBTL1
SCHEMBL24278426 0.86 MAPT (0.49) MAPTALOX12ESRRGALDH1A1L3MBTL1
SCHEMBL17574202 0.84 MTOR (0.53) MAPTALOX12ESRRGALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL17560942 0.83 MTOR (0.52) MAPTALOX12ESRRGALDH1A1L3MBTL1
SCHEMBL24278924 0.82 MAPT (0.64) MAPTALOX12ESRRGALDH1A1L3MBTL1
SCHEMBL22886331 0.82 ALDH1A1 (0.52) MAPTALOX12ESRRGALDH1A1L3MBTL1
SCHEMBL19449659 0.80 LMNA (0.50) MAPTALOX12ESRRGALDH1A1L3MBTL1
SCHEMBL16224373 0.79 SMN1; SMN2 (0.48) MAPTALOX12ALDH1A1L3MBTL1LMNA
SCHEMBL31255151 0.79 ESRRG (0.68) MAPTALOX12ESRRGALDH1A1L3MBTL1

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 17 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
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-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
WO-2014176636-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2014-11-06 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 (13 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 MAPT 4207/4885ALOX12 438/4885ESRRG 3261/4885
US-11566012-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS MAPT 3694/4885ALOX12 1316/4885ESRRG 4513/4885
US-20200290990-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAPT 3694/4885ALOX12 1316/4885ESRRG 4513/4885
US-10370341-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B MAPT 4207/4885ALOX12 438/4885ESRRG 3261/4885
US-20210009552-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAPT 3694/4885ALOX12 1316/4885ESRRG 4513/4885
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAPT 3694/4885ALOX12 1316/4885ESRRG 4513/4885
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAPT 3694/4885ALOX12 1316/4885ESRRG 4513/4885
US-20190330178-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAPT 3694/4885ALOX12 1316/4885ESRRG 4513/4885
US-10829468-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS MAPT 3694/4885ALOX12 1316/4885ESRRG 4513/4885
US-10562880-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS MAPT 3694/4885ALOX12 1316/4885ESRRG 4513/4885
US-10752606-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS MAPT 3694/4885ALOX12 1316/4885ESRRG 4513/4885
US-10392363-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS MAPT 3694/4885ALOX12 1316/4885ESRRG 4513/4885
US-10253002-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B MAPT 4207/4885ALOX12 438/4885ESRRG 3261/4885

“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.