SCHEMBL641767

SCHEMBL641767

O=C(Nc1ccccc1CP(=O)(O)O)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.52
DHODH Q02127 1/20 0.51
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
NR1H4 Q96RI1 1/20 0.45
MEN1 O00255 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BLM P54132 1/20 0.44
PPARG P37231 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTPN1 P18031 1/20 0.44
HDAC1 Q13547 3/20 0.43

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
SCHEMBL641510 0.92 DHODH (0.57) DEGS1DHODHPDCD1CD274NR1H4
SCHEMBL641661 0.84 F10 (0.63) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL642632 0.83 HDAC1 (0.47) NR1H4MEN1KMT2ALMNAMAPT
SCHEMBL641466 0.80 PLK1 (0.57) NR1H4MEN1NPC1RAB9AKMT2A
SCHEMBL642590 0.80 PLK1 (0.61) MEN1KMT2AMAPT
SCHEMBL644422 0.78 PLK1 (0.63) NR1H4LMNAMAPTSMN1; SMN2SUCNR1
SCHEMBL642937 0.78 PLK1 (0.63) NR1H4LMNAMAPTSMN1; SMN2SUCNR1
SCHEMBL26671301 0.75 PLK1 (0.65)
SCHEMBL26671910 0.73 PLK1 (0.67) NR1H4NPC1RAB9ALMNAMAPT
SCHEMBL18100422 0.72 HPGD (0.57) NR1H4MEN1NPC1RAB9AKMT2A

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 10 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 claimed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US claimed
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

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 DEGS1 2190/4885DHODH 731/4885PDCD1 4339/4885

“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.