SCHEMBL22886331

SCHEMBL22886331

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ESRRG P62508 1/20 0.51
MAPT P10636 2/20 0.49
ALOX12 P18054 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.43
NR1H4 Q96RI1 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
AGTR1 P30556 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL16224332 0.82 MAPT (0.64) ALDH1A1L3MBTL1ESRRGMAPTALOX12
Hydrochloric Acid SCHEMBL17560749 0.80 MAPT (0.62) ALDH1A1L3MBTL1ESRRGMAPTALOX12
SCHEMBL19449656 0.76 MAPT (0.57) ALDH1A1L3MBTL1ESRRGMAPTALOX12
SCHEMBL24278426 0.70 MAPT (0.49) ALDH1A1L3MBTL1ESRRGMAPTALOX12
SCHEMBL24278924 0.70 MAPT (0.64) ALDH1A1L3MBTL1ESRRGMAPTALOX12
SCHEMBL27045464 0.70 ALDH1A1 (0.63) ALDH1A1L3MBTL1ESRRGMAPTALOX12
SCHEMBL17574202 0.68 MTOR (0.53) ALDH1A1L3MBTL1ESRRGMAPTALOX12
SCHEMBL21697211 0.67 F7 (0.42)
SCHEMBL31255151 0.67 ESRRG (0.68) ALDH1A1L3MBTL1ESRRGMAPTALOX12
Hydrochloric Acid SCHEMBL17560942 0.67 MTOR (0.52) ALDH1A1L3MBTL1ESRRGMAPTALOX12

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 2 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-20210009552-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2021-01-14 US 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-11566012-B2 Methods for treating protozoan infections DPM1, ABCB11, PIGS ALDH1A1 840/4885L3MBTL1 4108/4885ESRRG 4513/4885
US-20210009552-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS ALDH1A1 840/4885L3MBTL1 4108/4885ESRRG 4513/4885

“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.