SCHEMBL9969486

SCHEMBL9969486

CC(C)(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
MLYCD O95822 1/20 0.60
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 4/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 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 0.85 MAPT (0.81) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL17865780 0.85 MLYCD (0.77) MAPTMLYCDRAB9ANPC1SMN1; SMN2
SCHEMBL3704980 0.83 MAPT (0.68) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9827893 0.81 MAPT (0.70) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL23842313 0.81 HDAC1 (0.78) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8612164 0.81 HDAC1 (0.78) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2558734 0.81 MAPT (0.69) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL751290 0.80 MAPT (0.60) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5506646 0.80 MAPT (0.75) MAPTRAB9ANPC1SMN1; SMN2MEN1
Dimethylamine SCHEMBL10718780 0.80 MAPT (0.64) 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 12 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-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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 (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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 MAPT 4552/4885MLYCD 157/4885RAB9A 1747/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 MAPT 4552/4885MLYCD 157/4885RAB9A 1747/4885
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 MAPT 4213/4885MLYCD 1442/4885RAB9A 2624/4885
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 MAPT 4213/4885MLYCD 1442/4885RAB9A 2624/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC MAPT 4336/4885MLYCD 97/4885RAB9A 2983/4885

“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.