SCHEMBL669669

SCHEMBL669669

O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(Nc2ccnc3ccccc23)cc1[N+](=O)[O-]

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.80
KMT2A Q03164 3/20 0.80
USP2 O75604 2/20 0.80
POLB P06746 2/20 0.80
MAPK1 P28482 2/20 0.80
KDM4E B2RXH2 1/20 0.80
ALDH1A1 P00352 1/20 0.80
THRB P10828 1/20 0.80
MCL1 Q07820 1/20 0.80
TDP1 Q9NUW8 1/20 0.80
DNMT1 P26358 9/20 0.66
DNMT3A Q9Y6K1 7/20 0.66
DNMT3L Q9UJW3 4/20 0.57
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
NCOA1 Q15788 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
HDAC3 O15379 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL670281 0.89 USP2 (0.65) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL20211618 0.89 KMT2A (1.00) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL30516137 0.89 KMT2A (1.00) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL26649077 0.88 KMT2A (0.70) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL9124370 0.80 DNMT1 (1.00) MAPTKMT2AUSP2POLBKDM4E
SCHEMBL24006029 0.80 DNMT1 (0.89) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL30287674 0.80 DNMT1 (0.89) MAPTKMT2AUSP2POLBMAPK1
Hydrochloric Acid SCHEMBL1881241 0.79 DNMT1 (0.98) MAPTKMT2AUSP2POLBKDM4E
SCHEMBL4367899 0.78 ABCG2 (0.67) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL24003743 0.78 DNMT1 (0.85) MAPTKMT2AUSP2POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742156-B2 Anti-viral carbamimidothioic acid esters BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2014-06-03 US claimed
US-20130143961-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS BRITISH COLUMBIA CANCER AGENCY (CA) 2013-06-06 US claimed
US-8742156-B2 Anti-viral carbamimidothioic acid esters BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2014-06-03 US disclosed
US-8742156-B2 Anti-viral carbamimidothioic acid esters BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2014-06-03 US disclosed
US-8742156-B2 Anti-viral carbamimidothioic acid esters BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2014-06-03 US disclosed
US-20130143961-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS BRITISH COLUMBIA CANCER AGENCY (CA) 2013-06-06 US disclosed
US-20130143961-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS BRITISH COLUMBIA CANCER AGENCY (CA) 2013-06-06 US disclosed
US-20130143961-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS BRITISH COLUMBIA CANCER AGENCY (CA) 2013-06-06 US disclosed
WO-2012021991-A8 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS VERSITECH LIMITED (CN) 2013-03-28 WO disclosed
WO-2012021991-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS VERSITECH LIMITED (CN) 2012-02-23 WO disclosed
WO-2012021991-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS VERSITECH LIMITED (CN) 2012-02-23 WO disclosed
WO-2012021991-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS VERSITECH LIMITED (CN) 2012-02-23 WO 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 (1 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-20130143961-A1 ANTI-VIRAL CARBAMIMIDOTHIOIC ACID ESTERS NAT10, RNGTT, NSUN2 MAPT 3067/4885KMT2A 382/4885USP2 1073/4885

“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.