SCHEMBL5400545

SCHEMBL5400545

Cn1cc(Br)nc1C1OCC(C)(C)CO1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.34
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7451000 0.83
SCHEMBL5409772 0.78 SOAT1 (0.33) SOAT1NPC1RAB9ASMN1; SMN2
SCHEMBL5411148 0.72 SOAT1 (0.32) SOAT1
SCHEMBL14397368 0.70 RPS6KB1 (0.31)
Hydrochloric Acid SCHEMBL3527705 0.68 RPS6KB1 (0.30)
SCHEMBL24248562 0.63 SMN1; SMN2 (0.36) SOAT1NPC1RAB9ASMN1; SMN2
SCHEMBL21025328 0.61 MEN1 (0.37) SOAT1NPC1RAB9ASMN1; SMN2
SCHEMBL1179726 0.61 SMN1; SMN2 (0.54) SOAT1NPC1RAB9ASMN1; SMN2
SCHEMBL18119744 0.60 SMN1; SMN2 (0.62) SOAT1NPC1RAB9ASMN1; SMN2
SCHEMBL23213821 0.60 PIK3CA (0.34)

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
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections ASTRAZENECA AB (SE) 2004-12-16 US disclosed
EP-1412355-A1 NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS AstraZeneca AB (SE) 2004-04-28 EP disclosed
WO-2003002567-A1 NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS ASTRAZENECA AB (SE) 2003-01-09 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 (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-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections DPYD, HPGDS, PGC SOAT1 4581/4885NPC1 822/4885RAB9A 883/4885

“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.