Sugi Predict

Sugi Predict / Compounds / SCHEMBL801576

SCHEMBL801576

SCHEMBL801576

O=CNc1cnc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 4/20 0.39
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PIN1 Q13526 2/20 0.35
▸ AHR P35869 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ ALDH5A1 P51649 1/20 0.33
▸ ABAT P80404 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4175079 0.78 VCAM1 (0.54) VCAM1MAPTLMNAPIN1MAPK1
SCHEMBL801083 0.76 ALDH1A1 (0.52) MAPTLMNAPOLBMAPK1HTT
SCHEMBL7530821 0.73 VCAM1 (0.62) VCAM1MAPTMEN1LMNAPOLB
SCHEMBL29445407 0.73 MAPK1 (0.44) VCAM1POLBPIN1AHRMAPK1
SCHEMBL113455 0.73 MAPK1 (0.44) VCAM1POLBPIN1AHRMAPK1
SCHEMBL6384034 0.72 PIN1 (0.38) VCAM1MAPTMEN1LMNAKMT2A
SCHEMBL985995 0.72 AHR (0.51) MAPTMEN1LMNAKMT2AAHR
SCHEMBL29780392 0.72 AHR (0.51) MAPTMEN1LMNAKMT2AAHR
SCHEMBL16302880 0.71 AHR (0.48) VCAM1MAPTMEN1LMNAPOLB
SCHEMBL801407 0.71 VCAM1 (0.36) VCAM1MAPTMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940770-B2 Nitropyridinyl ethyleneimine compound, the pharmaceutical composition containing it, the preparation method and use thereof BEIJING YILING BIOENGINEERING CO., LTD. (CN) 2015-01-27 — — US disclosed
US-20140073796-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF BEIJING YILING BIOENGINEERING CO., LTD (CN) 2014-03-13 — — US disclosed
US-20120071515-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF BEIJING YILING BIOENGINEERING CO., LTD (CN) 2012-03-22 — — 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-20120071515-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF ENPP1, DPYD, NME2 VCAM1 4109/4885MAPT 3373/4885MEN1 305/4885
US-20140073796-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF ENPP1, DPYD, NME2 VCAM1 4109/4885MAPT 3373/4885MEN1 305/4885

“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.