SCHEMBL5923110

SCHEMBL5923110

CCCCCOc1ccc(NC(=N)Nc2nccc(C)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.46
▸ S1PR3 Q99500 3/20 0.46
▸ MAPT P10636 4/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ GAA P10253 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ FAAH O00519 7/20 0.44

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
SCHEMBL5923381 0.88 MAPT (0.55) S1PR1S1PR3MAPTTP53KDM4E
SCHEMBL5923063 0.87 MAPT (0.54) S1PR1S1PR3MAPTTP53KDM4E
SCHEMBL5923002 0.85 MAPT (0.57) MAPTTP53KDM4EHPGDHTT
SCHEMBL5923549 0.84 SPHK1 (0.47) S1PR1S1PR3MAPTALDH1A1
SCHEMBL5923088 0.82 MAPT (0.48) S1PR1S1PR3MAPTTP53KDM4E
SCHEMBL5922968 0.81 MAPT (0.62) MAPTTP53KDM4EHPGDHTT
SCHEMBL4983215 0.80 PTGES (0.56) S1PR1S1PR3GAAL3MBTL1FAAH
SCHEMBL13310313 0.80 MAPT (0.52) MAPTTP53KDM4EHPGDHTT
SCHEMBL5923222 0.79 NPSR1 (0.49) MAPTHPGDHTTHSD17B10ALDH1A1
Bromide SCHEMBL5458791 0.79 PTGES (0.55) S1PR1S1PR3GAAL3MBTL1FAAH

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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — US claimed
US-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — 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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication PIGS, GUCY1A1, GUCY1B1 S1PR1 544/4885S1PR3 502/4885MAPT 2982/4885

“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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