SCHEMBL642676

SCHEMBL642676

CCOP(=O)(OCC)C(F)(F)c1ccccc1NO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
NR1I2 O75469 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL641750 0.85 KDM4E (0.40) KDM4EKMT2ALMNAALDH1A1GAA
SCHEMBL5506535 0.76 CA1 (0.41) KDM4ELMNAALDH1A1GAAHTT
SCHEMBL643902 0.76 ALDH1A1 (0.40) KDM4EKMT2ALMNAALDH1A1GAA
SCHEMBL642677 0.73 POLB (0.39) KDM4EKMT2ALMNAALDH1A1GAA
SCHEMBL643541 0.73 NPSR1 (0.46) KMT2ALMNAALDH1A1GAAHTT
SCHEMBL5795784 0.72 PTPN1 (0.48) KMT2ALMNAALDH1A1HPGDNPSR1
SCHEMBL5987311 0.70 KIF11 (0.39) KDM4EKMT2ALMNAALDH1A1HPGD
SCHEMBL518217 0.70 POLB (0.44) KDM4EKMT2ALMNAALDH1A1GAA
SCHEMBL4004235 0.69 PTPN1 (0.48) KDM4ELMNAHPGD
SCHEMBL2038003 0.68 POLB (0.59) KDM4EKMT2ALMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US claimed
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP claimed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 WO claimed
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US disclosed
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 WO disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 KDM4E 837/4885KMT2A 1761/4885LMNA 1589/4885

“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.