SCHEMBL5413310

SCHEMBL5413310

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.34
▸ GALR2 O43603 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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 0.86 LMNA (0.41) LMNAGALR2POLBMAPTRAB9A
SCHEMBL5405453 0.79 MAPT (0.49) LMNAGALR2POLBMAPTRAB9A
SCHEMBL5413186 0.75 MEN1 (0.47) LMNAGALR2POLBMAPTRAB9A
SCHEMBL13866827 0.72 ALDH1A1 (0.40) LMNAGALR2POLBMAPTNPC1
SCHEMBL10916223 0.65 PKM (0.35) LMNAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL16094185 0.63 RXRA (0.34) LMNAGALR2POLBMAPTRAB9A
SCHEMBL14805349 0.63 HTT (0.45) LMNAMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL5413318 0.62 LMNA (0.32) LMNAGALR2POLBMAPTRAB9A
SCHEMBL5405499 0.60 KMT2A (0.59) LMNAGALR2POLBMAPTRAB9A
SCHEMBL11852704 0.60 TDP1 (0.44) LMNAMAPTSMN1; SMN2ALDH1A1MEN1

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 LMNA 2087/4885GALR2 1568/4885POLB 1630/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 LMNA 1618/4885GALR2 3344/4885POLB 1148/4885

“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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