SCHEMBL1027052

SCHEMBL1027052

CCOC(=O)Cn1cncc1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ MITF O75030 1/20 0.43
▸ PTGS2 P35354 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TBXAS1 P24557 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PIN1 Q13526 1/20 0.40
▸ PIN4 Q9Y237 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL25311885 0.85 CYP11B1 (0.48) ALDH1A1RAB9ASMN1; SMN2KMT2AHSD17B10
SCHEMBL2531890 0.79 CYP11B1 (0.52) ALDH1A1RAB9ASMN1; SMN2TBXAS1KMT2A
Hydrochloric Acid SCHEMBL25311465 0.78 CYP11B1 (0.38) ALDH1A1PTGS2KMT2AMEN1MAPT
SCHEMBL18838185 0.76 RAB9A (0.48) ALDH1A1RAB9ASMN1; SMN2GSK3AGSK3B
SCHEMBL27831350 0.75 ALDH1A1 (0.70) ALDH1A1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL27811680 0.73 ADORA2B (0.44) ALDH1A1MAPK1KMT2AMEN1HSD17B10
SCHEMBL27482241 0.72 TBXAS1 (0.50) TBXAS1
SCHEMBL10233671 0.70 — —
SCHEMBL10036618 0.70 KCNH2 (0.34) —
SCHEMBL6776094 0.70 CYP11B1 (0.62) ALDH1A1MAPTTSHRIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225252-B1 C2-C5-ALKYL-IMIDAZOLE-BISPHOSPHONATES NOVARTIS AG (CH) 2012-06-27 — — EP disclosed
EP-2225252-B1 C2-C5-ALKYL-IMIDAZOLE-BISPHOSPHONATES NOVARTIS AG (CH) 2012-06-27 — — EP disclosed
US-20110224173-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2011-09-15 — — US disclosed
US-20110224173-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2011-09-15 — — US disclosed
US-20110224173-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2011-09-15 — — US disclosed
US-7977323-B2 C2-C5-alkyl-imidazole-bisphosphonates NOVARTIS AG (CH) 2011-07-12 — — US disclosed
US-7977323-B2 C2-C5-alkyl-imidazole-bisphosphonates NOVARTIS AG (CH) 2011-07-12 — — US disclosed
US-7977323-B2 C2-C5-alkyl-imidazole-bisphosphonates NOVARTIS AG (CH) 2011-07-12 — — US disclosed
US-20110034418-A1 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2011-02-10 — — US disclosed
US-20110034418-A1 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2011-02-10 — — US disclosed
US-20110034418-A1 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2011-02-10 — — US disclosed
EP-2273980-A2 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE Novartis AG (CH) 2011-01-19 — — EP disclosed
EP-2225252-A1 C2-C5-ALKYL-IMIDAZOLE-BISPHOSPHONATES Novartis AG (CH) 2010-09-08 — — EP disclosed
WO-2009121935-A2 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2009-10-08 — — WO disclosed
WO-2009121935-A2 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2009-10-08 — — WO disclosed
WO-2009068567-A1 C2-C5-ALKYL-IMIDAZOLE-BISPHOSPHONATES NOVARTIS AG (CH) 2009-06-04 — — WO disclosed
WO-2009068567-A1 C2-C5-ALKYL-IMIDAZOLE-BISPHOSPHONATES NOVARTIS AG (CH) 2009-06-04 — — WO disclosed
US-20090143337-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2009-06-04 — — US disclosed
US-20090143337-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2009-06-04 — — US disclosed
US-20090143337-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2009-06-04 — — 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 (3 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-20110224173-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates INPP5B, PPIP5K2, INPPL1 ALDH1A1 4630/4885RAB9A 198/4885SMN1; SMN2 731/4885
US-20110034418-A1 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE SOST, SLC20A1, SLC34A1 ALDH1A1 3443/4885RAB9A 457/4885SMN1; SMN2 1849/4885
US-20090143337-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates PPIP5K2, INPP5B, INPPL1 ALDH1A1 4597/4885RAB9A 163/4885SMN1; SMN2 710/4885

“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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