Perchlorate

Perchlorate

SCHEMBL637063

CC#N.CC#N.CN(C)c1ccc(P(c2ccc(N(C)C)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)ccc3ccccc23)cc1.[Cu+].[O-][Cl+3]([O-])([O-])[O-]

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
MEN1 O00255 4/20 0.33
RAB9A P51151 4/20 0.33
KMT2A Q03164 4/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
NPC1 O15118 3/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
HSP90AA1 P07900 1/20 0.33
THRB P10828 1/20 0.33
XBP1 P17861 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
SCHEMBL635353 0.88 ALOX5 (0.40) ALOX5GPR84MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL16561297 0.85 MAPT (0.40) ALOX5GPR84MEN1RAB9AKMT2A
Perchlorate SCHEMBL637512 0.84 HK1 (0.30)
Acetonitrile SCHEMBL4650678 0.81 MAPT (0.37) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8613770 0.81 RRM1 (0.45) ALOX5GPR84MEN1RAB9AKMT2A
Acetonitrile SCHEMBL16712557 0.80 MAPT (0.36) MEN1RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL8615984 0.76 RRM1 (0.41) ALOX5GPR84MEN1RAB9AKMT2A
Perchlorate SCHEMBL9334337 0.76 HKDC1 (0.43) GPR84MEN1RAB9AKMT2AL3MBTL1
SCHEMBL28081794 0.75 CHRM5 (0.43) ALOX5GPR84MEN1RAB9AKMT2A
Acetonitrile SCHEMBL9790129 0.75 WDR5 (0.35) HTTSMN1; SMN2MAPTALDH1A1TDP1

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 ALOX5 1012/4885GPR84 1894/4885MEN1 658/4885
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME MVD, C5, C1S ALOX5 1012/4885GPR84 1894/4885MEN1 658/4885

“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.