SCHEMBL4782773

SCHEMBL4782773

CCNCCNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TAAR1 Q96RJ0 1/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 1/20 0.59
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56

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
SCHEMBL11621538 0.89 MAPT (0.81) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3704980 0.86 MAPT (0.68) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3955088 0.85 MAPT (0.62) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8209389 0.85 MAPT (0.67) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9827893 0.84 MAPT (0.70) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5506646 0.83 MAPT (0.75) MAPTRAB9ANPC1SMN1; SMN2MEN1
Dimethylamine SCHEMBL10718780 0.83 MAPT (0.64) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL14066861 0.82 MAPT (0.61) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5507892 0.82 MAPT (0.69) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL11087441 0.81 HDAC1 (0.70) MAPTRAB9ANPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101641338-A Multifunctional small molecules as antiproliferative agents CURIS INC US 2010-02-03 CN disclosed
US-20080234355-A1 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-09-25 US disclosed
US-20080234355-A1 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-09-25 US disclosed
US-20080234355-A1 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-09-25 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033744-A2 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033744-A2 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 WO disclosed
EP-0285284-B1 N-PHENETHYLAMINOALKYL-BENZAMIDE ANTI-ARRHYTHMIA AGENTS Pfizer Limited (GB) 1991-05-15 EP disclosed
EP-0285284-A2 N-phenethylaminoalkyl-benzamide anti-arrhythmia agents Pfizer Limited (GB) 1988-10-05 EP disclosed
EP-0199042-A1 Procainamide assay, tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1986-10-29 EP disclosed
US-4235969-A IMMUNOASSAYS FOR DETERMINATION OF BENZAMIDES OF N,N-DIALKYLETHYLENEAMINES SYVA COMPANY (US) 1980-11-25 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-20080234355-A1 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY DNMT1, DNMT3B, DNMT3A MAPT 1735/4885RAB9A 3642/4885NPC1 1266/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 MAPT 3758/4885RAB9A 3181/4885NPC1 3092/4885

“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.