SCHEMBL2534848

SCHEMBL2534848

CCOC(=O)Cn1cnc(CCCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALOX5 P09917 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ LPAR1 Q92633 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ PLA2G4A P47712 1/20 0.40

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
SCHEMBL9093669 0.79 MEN1 (0.45) ALOX5MEN1KMT2AALDH1A1TSHR
SCHEMBL1025097 0.79 RAB9A (0.52) SMN1; SMN2RAB9APOLBALDH1A1CYP2C19
SCHEMBL8455536 0.76 ALDH1A1 (0.49) MEN1KMT2AALDH1A1TSHR
SCHEMBL2531890 0.73 CYP11B1 (0.52) SMN1; SMN2RAB9AALOX5MEN1KMT2A
SCHEMBL17410492 0.73 ALDH1A1 (0.47) SMN1; SMN2RAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL3711683 0.72 RAB9A (0.54) SMN1; SMN2RAB9AKMT2AALDH1A1CYP2C19
SCHEMBL23361721 0.72 RAB9A (0.51) SMN1; SMN2RAB9AALDH1A1L3MBTL1TSHR
SCHEMBL260297 0.71 ALOX5 (0.76) SMN1; SMN2RAB9AALOX5KMT2APOLB
SCHEMBL6369409 0.71 CYP4F2 (0.43) SMN1; SMN2RAB9AALDH1A1L3MBTL1
Hexane SCHEMBL9090041 0.71 KMT2A (0.46) SMN1; SMN2RAB9AMEN1KMT2APOLB

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
EP-2382223-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS Novartis AG (CH) 2011-11-02 — — EP disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — US disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — US disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — US disclosed
WO-2010076258-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2010-07-08 — — 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-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS PTEN, INPP5D, PPIP5K2 SMN1; SMN2 2330/4885RAB9A 329/4885ALOX5 1605/4885

“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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