SCHEMBL3247050

SCHEMBL3247050

CCOC(=O)C(CCC#N)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.49
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 1/20 0.39
PIN1 Q13526 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NMT2 O60551 1/20 0.36
NMT1 P30419 1/20 0.36
MMP8 P22894 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
SCHEMBL11127938 0.88 KMT2A (0.43) AAK1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL11127941 0.88 KMT2A (0.43) AAK1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL11114111 0.88 AAK1 (0.50) AAK1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL11112454 0.88 AAK1 (0.46) AAK1SMN1; SMN2TDP1ALDH1A1POLB
SCHEMBL11315574 0.87 MEN1 (0.42) AAK1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL14493754 0.85 AAK1 (0.54) AAK1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL16119506 0.83 AAK1 (0.43) AAK1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL14879796 0.83 AAK1 (0.43) AAK1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL5928301 0.82 MEN1 (0.51) AAK1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL11118461 0.81 AAK1 (0.51) AAK1KMT2AMEN1NPC1SMN1; SMN2

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-1421058-B1 PROCESSES FOR THE PRODUCTION OF ALPHA-DIFLUOROMETHYL ORNITHINE (DFMO) SKINMEDICA INC (US) 2010-05-05 EP disclosed
US-7012158-B2 Processes for the production of α-difluoromethyl ornithine (DFMO) SKINMEDICA, INC. (US) 2006-03-14 US disclosed
EP-1421058-A4 PROCESSES FOR THE PRODUCTION OF ALPHA-DIFLUOROMETHYL ORNITHINE (DFMO) SKINMEDICA INC (US) 2006-02-08 EP disclosed
US-20040171876-A1 Processes for the production of alpha-difluoromethyl ornithine (DFMO) BRISTOL-MYERS SQUIBB COMPANY 2004-09-02 US disclosed
EP-1421058-A2 PROCESSES FOR THE PRODUCTION OF ALPHA-DIFLUOROMETHYL ORNITHINE (DFMO) Women First Healthcare, Inc. (US) 2004-05-26 EP disclosed
US-6730809-B2 FORMED VIA CHEMICAL REDUCTION AND HYDROLYSIS WITH MINIMAL USE OF HALOGENATED SOLVENTS; COMPRISES USE OF INTERMEDIATES SUCH AS ETHYL 2-BENZYLIDENEAMINO-2-DIFLUOROMETHYL-4-CYANOBUTANOATE WOMEN FIRST HEALTHCARE, INC. 2004-05-04 US disclosed
US-20030083384-A1 Processes for the production of alpha-difluoromethyl ornithine (DFMO) BRISTOL-MYERS SQUIBB COMPANY TO WOMEN FIRST HEALTHCARE, INC. 2003-05-01 US disclosed
WO-2003020209-A2 PROCESSES FOR THE PRODUCTION OF ALPHA-DIFLUOROMETHYL ORNITHINE (DFMO) WOMEN FIRST HEALTHCARE, INC. (US) 2003-03-13 WO disclosed
EP-0047516-B1 PROPYLAMINE DERIVATIVE AND PROCESS OF MANUFACTURING THE SAME TORAY INDUSTRIES, INC. (JP) 1984-01-04 EP disclosed
EP-0047516-A1 Propylamine derivative and process of manufacturing the same TORAY INDUSTRIES, INC. (JP) 1982-03-17 EP 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 (2 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-20040171876-A1 Processes for the production of alpha-difluoromethyl ornithine (DFMO) ODC1, OTC, OAT AAK1 1849/4885KMT2A 1917/4885MEN1 1364/4885
US-20030083384-A1 Processes for the production of alpha-difluoromethyl ornithine (DFMO) ODC1, OTC, OAT AAK1 1849/4885KMT2A 1917/4885MEN1 1364/4885

“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.