SCHEMBL17560933

SCHEMBL17560933

Nc1nc(NN=Cc2ccc(Br)cc2)cc(NN=Cc2ccc(Br)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
HPGD P15428 2/20 0.57
RAB9A P51151 10/20 0.55
MAPT P10636 10/20 0.55
NPC1 O15118 8/20 0.55
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
MEN1 O00255 9/20 0.55
KMT2A Q03164 9/20 0.55
KDM4E B2RXH2 2/20 0.55
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 4/20 0.50
GAA P10253 3/20 0.50
HTT P42858 2/20 0.49
ATM Q13315 2/20 0.47
PKM P14618 1/20 0.47
PABPC1 P11940 1/20 0.44
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL16224305 1.00 SMN1; SMN2 (0.57) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL23709440 0.93 SMN1; SMN2 (0.51) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL16224338 0.84 SMN1; SMN2 (0.57) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL16212197 0.84 SMN1; SMN2 (0.64) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL17560992 0.84 SMN1; SMN2 (0.57) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL16224345 0.84 MAPT (0.57) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL16212199 0.84 SMN1; SMN2 (0.64) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL17560833 0.84 MAPT (0.57) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL17560989 0.84 SMN1; SMN2 (0.57) SMN1; SMN2HPGDRAB9AMAPTNPC1
SCHEMBL17581319 0.84 SMN1; SMN2 (0.57) SMN1; SMN2HPGDRAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991968-B1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2021-11-10 EP claimed
US-20190330178-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2019-10-31 US claimed
US-10370341-B2 Compounds and methods of treating infections NEOCULI PTY LTD (AU) 2019-08-06 US claimed
US-10253002-B2 Compounds and methods of treating infections NEOCULI PTY LTD (AU) 2019-04-09 US claimed
US-20190084941-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2019-03-21 US claimed
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2017-10-12 US claimed
EP-3188722-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS Neoculi Pty Ltd (AU) 2017-07-12 EP claimed
WO-2016033635-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2016-03-10 WO claimed
EP-2991968-B1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2021-11-10 EP 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-20190084941-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS ELANE, IL1A, IL1B SMN1; SMN2 3440/4885HPGD 261/4885RAB9A 3788/4885
US-10370341-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B SMN1; SMN2 3440/4885HPGD 261/4885RAB9A 3788/4885
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS SMN1; SMN2 3002/4885HPGD 232/4885RAB9A 3198/4885
US-20190330178-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS SMN1; SMN2 3002/4885HPGD 232/4885RAB9A 3198/4885
US-10253002-B2 Compounds and methods of treating infections ELANE, IL1A, IL1B SMN1; SMN2 3440/4885HPGD 261/4885RAB9A 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.