SCHEMBL636417

SCHEMBL636417

CCN(CC)c1ccc(P(c2ccc(N(CC)CC)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(N(CC)CC)cc3)c3ccc(N(CC)CC)cc3)ccc3ccccc23)cc1.CN(C)C(=O)[Ru](Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PLK1 P53350 1/20 0.38
RAB9A P51151 3/20 0.34
NOX1 Q9Y5S8 1/20 0.34
MAPT P10636 3/20 0.34
NCEH1 Q6PIU2 4/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.33
HCRTR1 O43613 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL635117 0.90 MAPT (0.39) NPC1MEN1KMT2ARAB9ANOX1
SCHEMBL635386 0.87 WDR5 (0.38) MAPTNCEH1LMNAALDH1A1HPGD
SCHEMBL30894434 0.86 MEN1 (0.42) NPC1MEN1KMT2APLK1RAB9A
SCHEMBL635229 0.86 MEN1 (0.42) NPC1MEN1KMT2APLK1RAB9A
SCHEMBL636437 0.81 NCEH1 (0.34) NCEH1LMNAALDH1A1HPGD
SCHEMBL636039 0.79 NCEH1 (0.33) MAPTNCEH1LMNAALDH1A1HPGD
SCHEMBL635353 0.74 ALOX5 (0.40) NPC1MEN1KMT2ARAB9ANOX1
SCHEMBL11911370 0.73 TDP1 (0.40) NPC1MEN1KMT2APLK1RAB9A
Hydrochloric Acid SCHEMBL16561297 0.72 MAPT (0.40) NPC1MEN1KMT2ARAB9ANOX1
Acetic Acid SCHEMBL4438549 0.71 WDR5 (0.49) MAPTALDH1A1TSHRTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US disclosed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 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-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same MVD, C5, C1S NPC1 4580/4885MEN1 658/4885KMT2A 1029/4885
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME MVD, C5, C1S NPC1 4580/4885MEN1 658/4885KMT2A 1029/4885

“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.