Perchlorate

Perchlorate

SCHEMBL634875

Cc1cccc2cc3c(=O)[nH]cc(C(=O)NCCN(C)C)c3nc12.[O-][Cl+3]([O-])([O-])O

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 7/20 0.46
AOX1 Q06278 1/20 0.46
UHRF1 Q96T88 2/20 0.45
POLR1A O95602 2/20 0.42
HTT P42858 2/20 0.42
ECE1 P42892 1/20 0.42
MUS81 Q96NY9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
JAK2 O60674 1/20 0.41
SMARCA2 P51531 1/20 0.41
PIK3CD O00329 1/20 0.40
CYP1A2 P05177 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR2C P28335 1/20 0.39
BACE1 P56817 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4492119 0.95 RAD52 (0.50) RAD52AOX1UHRF1POLR1AHTT
Perchlorate SCHEMBL634876 0.83 KDM4E (0.37) HTTSMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL21798686 0.78 ATM (0.39) HTTKDM4EALDH1A1HSD17B10POLB
SCHEMBL21798663 0.77 SYK (0.43) HTTKDM4EALDH1A1HSD17B10JAK2
SCHEMBL31125271 0.77 RAD52 (0.48) RAD52AOX1UHRF1POLR1AHTT
SCHEMBL30122373 0.77 RAD52 (0.49) RAD52AOX1UHRF1POLR1AHTT
SCHEMBL30122363 0.77 RAD52 (0.49) RAD52AOX1UHRF1POLR1AHTT
SCHEMBL634092 0.77 RAD52 (0.49) RAD52AOX1UHRF1POLR1AHTT
SCHEMBL31125288 0.76 KDM4E (0.48) HTTKDM4EALDH1A1HSD17B10POLB
SCHEMBL634303 0.76 KDM4E (0.48) HTTKDM4EALDH1A1HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507778-B1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES UNIV TROBE (AU) 2012-02-22 EP disclosed
US-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES BAGULEY BRUCE CHARLES 2009-06-18 US disclosed
US-7504507-B2 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2009-03-17 US disclosed
US-20050245561-A1 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2005-11-03 US 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-20090156630-A1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES MKI67, MCL1, CCNI RAD52 2694/4885AOX1 2429/4885UHRF1 1983/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI RAD52 2746/4885AOX1 2349/4885UHRF1 1913/4885

“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.