Perchlorate

Perchlorate

SCHEMBL634876

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

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
MAPT P10636 5/20 0.37
CASP1 P29466 4/20 0.37
CASP7 P55210 4/20 0.37
HSD17B10 Q99714 4/20 0.37
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
JAK3 P52333 4/20 0.36
ATM Q13315 3/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
GLA P06280 1/20 0.33
PDE3B Q13370 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
SCHEMBL21798663 0.83 SYK (0.43) KDM4EMAPTCASP1CASP7HSD17B10
Perchlorate SCHEMBL634875 0.83 RAD52 (0.46) KDM4EHSD17B10JAK2ALDH1A1POLB
SCHEMBL4492119 0.77 RAD52 (0.50) KDM4EHSD17B10JAK2ALDH1A1POLB
SCHEMBL21798652 0.76 KDM4E (0.36) KDM4EMAPTCASP1CASP7HSD17B10
SCHEMBL634303 0.76 KDM4E (0.48) KDM4EMAPTCASP1CASP7HSD17B10
SCHEMBL31125288 0.76 KDM4E (0.48) KDM4EMAPTCASP1CASP7HSD17B10
SCHEMBL31125222 0.75 NR4A2 (0.50) KDM4EMAPTCASP1CASP7HSD17B10
SCHEMBL21798686 0.72 ATM (0.39) KDM4EMAPTCASP1CASP7HSD17B10
SCHEMBL21798658 0.72 KDM4E (0.36) KDM4EMAPTCASP1CASP7HSD17B10
SCHEMBL634262 0.65 KDM4E (0.40) KDM4EMAPTCASP1CASP7HSD17B10

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 KDM4E 744/4885MAPT 4168/4885CASP1 87/4885
US-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI KDM4E 880/4885MAPT 3981/4885CASP1 100/4885

“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.