SCHEMBL635117

SCHEMBL635117

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
RAB9A P51151 5/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39
CNR2 P34972 2/20 0.37
GPR84 Q9NQS5 1/20 0.34
IDO1 P14902 1/20 0.34
NCEH1 Q6PIU2 4/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 2/20 0.33
RRM1 P23921 1/20 0.33
NPC1 O15118 3/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL635386 0.90 WDR5 (0.38) MAPTALDH1A1KDM4ENCEH1LMNA
SCHEMBL636417 0.90 NPC1 (0.41) MAPTRAB9AALDH1A1TDP1MEN1
SCHEMBL635353 0.85 ALOX5 (0.40) MAPTRAB9AALDH1A1GAATDP1
SCHEMBL636039 0.84 NCEH1 (0.33) MAPTALDH1A1NCEH1LMNAHPGD
Hydrochloric Acid SCHEMBL16561297 0.82 MAPT (0.40) MAPTRAB9AALDH1A1GAATDP1
SCHEMBL636437 0.81 NCEH1 (0.34) ALDH1A1KDM4ENCEH1LMNAHPGD
SCHEMBL8613770 0.80 RRM1 (0.45) MAPTRAB9AALDH1A1GAATDP1
SCHEMBL8615984 0.76 RRM1 (0.41) MAPTRAB9AALDH1A1GAATDP1
Perchlorate SCHEMBL637063 0.75 ALOX5 (0.34) MAPTRAB9AALDH1A1GAATDP1
Acetic Acid SCHEMBL4438549 0.74 WDR5 (0.49) MAPTALDH1A1GAATDP1KDM4E

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 MAPT 4851/4885RAB9A 953/4885ALDH1A1 1165/4885
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME MVD, C5, C1S MAPT 4851/4885RAB9A 953/4885ALDH1A1 1165/4885

“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.