SCHEMBL5405453

SCHEMBL5405453

CNc1nc([S+](C)[O-])nc(N)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ LMNA P02545 4/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ KMT2A Q03164 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.38
▸ GAA P10253 1/20 0.36
▸ GALR2 O43603 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 3/20 0.35
▸ ATM Q13315 1/20 0.34

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
SCHEMBL5413333 0.89 LMNA (0.41) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL10916223 0.85 PKM (0.35) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL5413310 0.79 LMNA (0.34) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL15432578 0.76 TDP1 (0.37) MAPTLMNANPC1KMT2ASMN1; SMN2
SCHEMBL5415279 0.73 LMNA (0.50) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL19917127 0.67 — —
SCHEMBL12832961 0.67 MAPT (0.60) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL16094186 0.65 RXRA (0.34) MAPTLMNARAB9AHPGDALDH1A1
SCHEMBL16094185 0.65 RXRA (0.34) MAPTLMNARAB9AHPGDALDH1A1
SCHEMBL4321330 0.65 TYMS (0.42) MAPTLMNARAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 — — US disclosed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 — — US disclosed
EP-1453516-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-09-08 — — EP disclosed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 — — US disclosed
WO-2003032994-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 — — 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 (2 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-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 MAPT 13/4885LMNA 2087/4885RAB9A 1793/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 MAPT 12/4885LMNA 1618/4885RAB9A 1327/4885

“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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