SCHEMBL641750

SCHEMBL641750

CCNc1ccccc1C(F)(F)P(=O)(OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KCNH2 Q12809 1/20 0.35
POLB P06746 3/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
G6PD P11413 1/20 0.34
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL642676 0.85 KDM4E (0.42) KDM4ELMNAHPGDKMT2ANPSR1
SCHEMBL5506535 0.76 CA1 (0.41) KDM4ELMNAHPGDNPSR1ALDH1A1
SCHEMBL643902 0.76 ALDH1A1 (0.40) KDM4ELMNAHPGDKMT2ANPSR1
SCHEMBL4975136 0.75 ALDH1A1 (0.53) KDM4ELMNAHPGDKMT2ANPSR1
SCHEMBL31361988 0.75 ALDH1A1 (0.53) KDM4ELMNAHPGDKMT2ANPSR1
Hydrochloric Acid SCHEMBL6946304 0.73 ALDH1A1 (0.57) KDM4ELMNAHPGDKMT2ANPSR1
Bromide SCHEMBL29203650 0.73 POLB (0.52) KDM4ELMNAHPGDKMT2ANPSR1
SCHEMBL643541 0.73 NPSR1 (0.46) LMNAKMT2ANPSR1ALDH1A1GAA
SCHEMBL642080 0.72 NPSR1 (0.46) LMNAKMT2ANPSR1ALDH1A1GAA
SCHEMBL641751 0.72 POLB (0.38) KDM4ELMNAHPGDKMT2AALDH1A1

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 9 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-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 837/4885LMNA 1589/4885HPGD 1279/4885

“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.