SCHEMBL643542

SCHEMBL643542

CCC(C)OP(=O)(O)C(F)(F)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 7/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CES2 O00748 2/20 0.36
ACHE P22303 1/20 0.36
CES1 P23141 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL641787 0.90 NPSR1 (0.40) NPSR1MEN1KMT2AALDH1A1HTT
SCHEMBL643903 0.80 FDPS (0.34) ALDH1A1HTTLMNAMAPK1KCNH2
SCHEMBL642521 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CES2ACHECES1
SCHEMBL643449 0.78 PTPRC (0.50) KMT2ACYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL642677 0.78 POLB (0.39) KMT2AALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL642381 0.77 KMT2A (0.39) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL641751 0.77 POLB (0.38) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL642549 0.75 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL643469 0.72 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HTTCES2
SCHEMBL643541 0.72 NPSR1 (0.46) NPSR1MEN1KMT2AALDH1A1HTT

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-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 NPSR1 810/4885MEN1 2730/4885KMT2A 1761/4885

“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.