SCHEMBL16068166

SCHEMBL16068166

NCCCCn1cc(-c2cccc([N+](=O)[O-])c2)nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 14/20 0.56
NFE2L2 Q16236 14/20 0.56
SSTR1 P30872 1/20 0.51
SSTR2 P30874 1/20 0.51
SSTR3 P32745 1/20 0.51
SSTR5 P35346 1/20 0.51
PRMT5 O14744 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46

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
SCHEMBL16068261 0.83 KEAP1 (0.53) KEAP1NFE2L2PRMT5MEN1KMT2A
SCHEMBL27088356 0.81 KEAP1 (0.62) KEAP1NFE2L2PRMT5MEN1KMT2A
SCHEMBL16068165 0.80 TEK (0.53) PRMT5HDAC3HDAC4HDAC1HDAC7
SCHEMBL20673795 0.79 HDAC8 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29965678 0.79 HDAC8 (0.50) SSTR2SSTR5HDAC3HDAC4HDAC1
SCHEMBL16169650 0.79 HDAC8 (0.50) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL28605137 0.78 MEN1 (0.65) KEAP1NFE2L2PRMT5MEN1KMT2A
SCHEMBL17517592 0.77 HDAC8 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5287307 0.76 HDAC8 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19309771 0.76 HDAC6 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200040024-A1 CONVERGENT PROCESSES FOR PREPARING MACROLIDE ANTIBACTERIAL AGENTS Têtard, Inc. (US) 2020-02-06 US disclosed
US-20190023731-A1 CONVERGENT PROCESSES FOR PREPARING MACROLIDE ANTIBACTERIAL AGENTS TETARD, INC. 2019-01-24 US disclosed
US-9751908-B2 Convergent processes for preparing macrolide antibacterial agents CEMPRA PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-9751908-B2 Convergent processes for preparing macrolide antibacterial agents CEMPRA PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-20160046660-A1 CONVERGENT PROCESSES FOR PREPARING MACROLIDE ANTIBACTERIAL AGENTS TETARD, INC. 2016-02-18 US disclosed
US-20160046660-A1 CONVERGENT PROCESSES FOR PREPARING MACROLIDE ANTIBACTERIAL AGENTS TETARD, INC. 2016-02-18 US disclosed
WO-2014145210-A1 CONVERGENT PROCESSES FOR PREPARING MACROLIDE ANTIBACTERIAL AGENTS CEMPRA PHARMACEUTICALS, INC. (US) 2014-09-18 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 (3 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-20160046660-A1 CONVERGENT PROCESSES FOR PREPARING MACROLIDE ANTIBACTERIAL AGENTS COASY, TKT, CYP51A1 KEAP1 2618/4885NFE2L2 4196/4885SSTR1 1485/4885
US-20190023731-A1 CONVERGENT PROCESSES FOR PREPARING MACROLIDE ANTIBACTERIAL AGENTS COASY, TKT, CYP51A1 KEAP1 2618/4885NFE2L2 4196/4885SSTR1 1485/4885
US-20200040024-A1 CONVERGENT PROCESSES FOR PREPARING MACROLIDE ANTIBACTERIAL AGENTS COASY, TKT, CYP51A1 KEAP1 2618/4885NFE2L2 4196/4885SSTR1 1485/4885

“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.