SCHEMBL4903476

SCHEMBL4903476

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
RAB9A P51151 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
NPC1 O15118 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TAAR1 Q96RJ0 1/20 0.64
CYP1A2 P05177 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
MAOB P27338 1/20 0.60
ALDH1A1 P00352 2/20 0.59
HDAC3 O15379 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59

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 0.90 MAPT (0.81) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL2152953 0.88 HDAC1 (0.69) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL8612164 0.85 HDAC1 (0.78) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL2558734 0.85 MAPT (0.69) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL23842313 0.85 HDAC1 (0.78) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL3861146 0.84 MAOB (0.81) MEN1KMT2ACYP1A2TSHRNFKB1
SCHEMBL5610870 0.83 MAPT (0.68) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6268978 0.83 MAPT (0.68) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL9389056 0.83 MAPT (0.68) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL3704980 0.83 MAPT (0.68) MAPTRAB9AMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 3642/4885MEN1 3950/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 MAPT 3758/4885RAB9A 3181/4885MEN1 3710/4885
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 MAPT 4213/4885RAB9A 2624/4885MEN1 1170/4885
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 MAPT 4213/4885RAB9A 2624/4885MEN1 1170/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 MAPT 4552/4885RAB9A 1747/4885MEN1 428/4885

“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.