SCHEMBL3836880

SCHEMBL3836880

O=C(NCc1ccccc1Cl)Nc1ccsc1-c1nc(O)c(O)c(C(=O)O)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CASR P41180 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
MAPK8 P45983 2/20 0.37
MAPK10 P53779 2/20 0.37
MAPK9 P45984 1/20 0.36
MAPT P10636 1/20 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
SCHEMBL5130220 0.92 KMT2A (0.44) RAB9ANPC1ROCK2ROCK1KMT2A
SCHEMBL5121680 0.91 RAB9A (0.43) RAB9ANPC1ROCK2ROCK1KMT2A
SCHEMBL5117252 0.90 SMN1; SMN2 (0.44) RAB9ANPC1ROCK2ROCK1KMT2A
SCHEMBL13646992 0.84 NPC1 (0.47) RAB9ANPC1ROCK2ROCK1KMT2A
SCHEMBL3835094 0.83 RAB9A (0.44) RAB9ANPC1ROCK2ROCK1KMT2A
SCHEMBL4029613 0.81 ERCC1 (0.47) RAB9ANPC1ROCK2ROCK1KMT2A
SCHEMBL13647298 0.78 NPC1 (0.33) RAB9ANPC1ROCK2ROCK1KMT2A
SCHEMBL6620879 0.73 ERCC1 (0.49) RAB9ANPC1ROCK2ROCK1KMT2A
SCHEMBL5123410 0.73 KMT2A (0.48) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5251255 0.72 HPGD (0.47) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309566-B1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-10-07 EP claimed
EP-1309566-B1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-10-07 EP disclosed
US-7091209-B2 Dihydroxypyridmidine carboxylic acids as viral polymerase inhibitors MERCK & CO., INC. (US) 2006-08-15 US disclosed
US-20040106627-A1 Dihydroxypyrimidine carboxylic acids as viral polymerase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECULARE P ANGELETTI SPA (IT) 2004-06-03 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-20040106627-A1 Dihydroxypyrimidine carboxylic acids as viral polymerase inhibitors DPYD, DUT, UMPS RAB9A 3518/4885NPC1 2837/4885ROCK2 4615/4885

“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.