SCHEMBL643902

SCHEMBL643902

CCOP(=O)(OCC)C(F)(F)c1ccccc1N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
KCNH2 Q12809 1/20 0.38
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
ACHE P22303 1/20 0.36
TSHR P16473 2/20 0.35
NR1I2 O75469 1/20 0.35
CA2 P00918 1/20 0.34
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
AOX1 Q06278 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
SCHEMBL4009974 0.81 SMN1; SMN2 (0.36) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL5506535 0.80 CA1 (0.41) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL642676 0.76 KDM4E (0.42) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL643541 0.76 NPSR1 (0.46) ALDH1A1LMNAGAAHTTNPSR1
SCHEMBL641750 0.76 KDM4E (0.40) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL5795784 0.75 PTPN1 (0.48) ALDH1A1LMNANPSR1KCNH2POLB
SCHEMBL2036856 0.75 PGK1 (0.38) ALDH1A1LMNANPSR1KCNH2TSHR
Hydrochloric Acid SCHEMBL5215511 0.73 MAOB (0.37) ALDH1A1LMNAGAANPSR1KCNH2
SCHEMBL642867 0.73 TSHR (0.47) ALDH1A1LMNAGAANPSR1TSHR
SCHEMBL518217 0.73 POLB (0.44) ALDH1A1KDM4ELMNAGAAHTT

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
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
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 ALDH1A1 330/4885KDM4E 837/4885LMNA 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.