SCHEMBL21882639

SCHEMBL21882639

Nc1nc(N/N=C/c2ccc(O)cc2)nc(N/N=C/c2ccc(N=O)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ HTT P42858 3/20 0.49
▸ CTH P32929 1/20 0.48
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ KDM4E B2RXH2 5/20 0.44
▸ GAA P10253 3/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ PKM P14618 2/20 0.42
▸ DDX3X O00571 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL19434681 0.91 MAPT (0.56) MAPTRAB9ANPC1HTTCTH
SCHEMBL19434684 0.91 MAPT (0.56) MAPTRAB9ANPC1HTTCTH
SCHEMBL20834824 0.82 ALDH1A1 (0.52) MAPTRAB9ANPC1HTTCTH
SCHEMBL6829736 0.77 MAPT (0.50) MAPTRAB9ANPC1HTTCTH
SCHEMBL17560913 0.76 LMNA (0.66) MAPTRAB9ANPC1HTTMEN1
SCHEMBL17560916 0.76 LMNA (0.66) MAPTRAB9ANPC1HTTMEN1
SCHEMBL17560761 0.76 KMT2A (0.69) MAPTRAB9ANPC1HTTMEN1
SCHEMBL17560759 0.76 KMT2A (0.69) MAPTRAB9ANPC1HTTMEN1
SCHEMBL17561007 0.76 DDX3X (0.68) MAPTRAB9ANPC1HTTCTH
SCHEMBL17561004 0.76 DDX3X (0.68) MAPTRAB9ANPC1HTTCTH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2020-04-02 — — 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 (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-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS MAPT 3694/4885RAB9A 3198/4885NPC1 282/4885

“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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