SCHEMBL17574295

SCHEMBL17574295

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.57
▸ KMT2A Q03164 7/20 0.57
▸ MAPT P10636 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ CYP1A2 P05177 3/20 0.55
▸ CYP2C19 P33261 3/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 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
SCHEMBL16224314 0.81 MAPT (0.61) MEN1KMT2AMAPTALDH1A1NPSR1
Hydrochloric Acid SCHEMBL17560876 0.80 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL17044431 0.79 MAPT (0.66) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL17044433 0.79 MAPT (0.66) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL24278486 0.78 MEN1 (0.60) MEN1KMT2AMAPTALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6513472 0.77 MAPT (0.64) MEN1KMT2AMAPTALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL6513473 0.77 MAPT (0.64) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL7192728 0.71 RAB9A (1.00) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL5799955 0.71 RAB9A (1.00) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL13941594 0.70 FAAH (0.64) MEN1KMT2AMAPTALDH1A1L3MBTL1

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-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 (1 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-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MEN1 504/4885KMT2A 2912/4885MAPT 3694/4885

“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.

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