SCHEMBL635376

SCHEMBL635376

B.CN(C)c1ccc(Pc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
TSHR P16473 6/20 0.61
ALOX15 P16050 3/20 0.61
HSD17B10 Q99714 3/20 0.61
MAPK1 P28482 5/20 0.48
CYP3A4 P08684 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
TP53 P04637 2/20 0.48
APP P05067 2/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC2A1 P11166 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2A13 Q16696 1/20 0.42
HPGD P15428 1/20 0.42
CHRM5 P08912 1/20 0.42
CHKA P35790 1/20 0.42

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
SCHEMBL883438 0.97 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL1646005 0.87 ALDH1A1 (0.52) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL31633568 0.87 ALDH1A1 (0.52) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL10788361 0.79 ALDH1A1 (0.48) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL65261 0.78 ALDH1A1 (1.00) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL11451460 0.76 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL27475337 0.76 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL379126 0.75 ALDH1A1 (0.92) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL379125 0.75 ALDH1A1 (0.92) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL2443748 0.75 ALDH1A1 (0.92) ALDH1A1TSHRALOX15HSD17B10MAPK1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-19 US claimed
EP-1927596-B9 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2013-05-15 EP claimed
EP-1927596-B1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-08-01 EP claimed
EP-2420507-A1 Diphosphine ligand and transition metal complex using the same Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP claimed
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US claimed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 EP claimed
CN-101312984-B Diphosphine ligand and transition metal complex using same TAKEDA PHARMACEUTICAL 2015-05-27 CN disclosed
US-8981147-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-19 US disclosed
EP-1927596-B9 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2013-05-15 EP disclosed
EP-1927596-B1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-08-01 EP disclosed
EP-2420507-A1 Diphosphine ligand and transition metal complex using the same Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
US-8053604-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-08 US disclosed
EP-1452537-B1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS TAKEDA PHARMACEUTICAL (JP) 2009-08-05 EP disclosed
CN-101312984-A Diphosphine ligand and transition metal complex using same TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-11-26 CN disclosed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 EP disclosed
US-20070161805-A1 Phosphine-borane complex enantiomorph compounds produced in solvents and in the presence of nickel catalysts; useful for asymmetric synthesis of compounds useful as drug for prophylaxis or treatment of increased urinary frequency or urinary incontinence, Alzheimer's disease SPERA PHARMA, INC. (JP) 2007-07-12 US disclosed
US-7208633-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20050027124-A1 Process for preparation of diphosphine compounds and intermediates for the process SPERA PHARMA, INC. (JP) 2005-02-03 US disclosed
EP-1452537-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS Takeda Chemical Industries, Ltd. (JP) 2004-09-01 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-20070161805-A1 Phosphine-borane complex enantiomorph compounds produced in solvents and in the presence of nickel catalysts; useful for asymmetric synthesis of compounds useful as drug for prophylaxis or treatment of increased urinary frequency or urinary incontinence, Alzheimer's disease BACE1, H1-10, PRMT1 ALDH1A1 2206/4885TSHR 1972/4885ALOX15 3860/4885
US-20050027124-A1 Process for preparation of diphosphine compounds and intermediates for the process H1-10, ITPA, RER1 ALDH1A1 4580/4885TSHR 1089/4885ALOX15 4788/4885
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same MVD, C5, C1S ALDH1A1 1165/4885TSHR 1507/4885ALOX15 1679/4885
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME MVD, C5, C1S ALDH1A1 1165/4885TSHR 1507/4885ALOX15 1679/4885

“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.