SCHEMBL812265

SCHEMBL812265

CCN(CC)C(F)(F)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.52
PTPN5 P54829 2/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.39
AGTR1 P30556 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CYP2C9 P11712 1/20 0.37
BACE1 P56817 1/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP19A1 P11511 1/20 0.35
GAA P10253 1/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL812047 0.88 ALDH1A1 (0.44) ALDH1A1KDM4ETAAR1CYP2C9NR1H2
SCHEMBL812665 0.78 TSHR (0.41) KIF11MAPTNPC1RAB9A
SCHEMBL3213108 0.76 MEN1 (0.40) SMN1; SMN2L3MBTL1CYP19A1
SCHEMBL1337600 0.74 PTPN1 (0.46)
SCHEMBL1338196 0.73 CA12 (0.42) KIF11MAPTALDH1A1L3MBTL1RAB9A
SCHEMBL5891888 0.73 BCL2 (0.37) KIF11ALDH1A1KDM4ENR1H2NR1H3
SCHEMBL1337626 0.73 PTPN1 (0.41) MAPTALDH1A1KDM4E
SCHEMBL12330424 0.70 KIF11 (0.65) KIF11PTPN5ALDH1A1TAAR1CYP2C9
SCHEMBL17035905 0.70 KIF11 (0.65) KIF11PTPN5ALDH1A1TAAR1CYP2C9
SCHEMBL163728 0.69 KIF11 (1.00) KIF11PTPN5ALDH1A1BACE1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-7968751-B2 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-06-28 US disclosed
US-7892518-B2 fluorinating a specific position of a saccharide substrate selectively without affecting a protective group at a temperature within a wide range safely and easily with N, N-diethyl-alpha, alpha-difluoro(3-methyl)benzylamine a fluorinating agent under irradiation with microwave or electromagnetic wave MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-02-22 US disclosed
EP-2189467-A2 Method of fluorination by microwaves Mitsubishi Gas Chemical Company, Inc. (JP) 2010-05-26 EP disclosed
EP-2189466-A2 METHOD OF FLUORINATION BY MICROWAVES Mitsubishi Gas Chemical Company, Inc. (JP) 2010-05-26 EP disclosed
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 US disclosed
US-20080319228-A1 Method of fluorination HARA SHOJI 2008-12-25 US disclosed
EP-1956012-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE National University Corporation Hokkaido University (JP) 2008-08-13 EP disclosed
US-20080154064-A1 Method of fluorination HARA SHOJI 2008-06-26 US disclosed
US-7351863-B2 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-04-01 US disclosed
US-20060014972-A1 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-01-19 US disclosed
EP-1568703-A1 METHOD OF FLUORINATION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-08-31 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 (4 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-20080154064-A1 Method of fluorination FUCA2, FABP2, FGB KIF11 330/4885PTPN5 4817/4885MAPT 2251/4885
US-20080319228-A1 Method of fluorination FUCA2, FABP2, FGB KIF11 330/4885PTPN5 4817/4885MAPT 2251/4885
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE OXA1L, SULT1A1, DAO KIF11 4615/4885PTPN5 3486/4885MAPT 4792/4885
US-20060014972-A1 Method of fluorination FUCA2, FABP2, FGB KIF11 330/4885PTPN5 4817/4885MAPT 2251/4885

“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.