SCHEMBL805290

SCHEMBL805290

NC(=O)c1ccc([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
PARP1 P09874 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP1 P29466 1/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
VCAM1 P19320 1/20 0.38
KCNMA1 Q12791 1/20 0.37
PIM1 P11309 1/20 0.37
GAA P10253 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL27227118 0.84 MAPT (0.41) MAPTALDH1A1L3MBTL1TDP1POLB
SCHEMBL805289 0.84 CASP6 (0.44) MAPTALDH1A1L3MBTL1TDP1POLB
SCHEMBL29946149 0.84 CASP6 (0.44) MAPTALDH1A1L3MBTL1TDP1POLB
SCHEMBL11722947 0.83 ALDH1A1 (0.41) MAPTALDH1A1L3MBTL1TDP1POLB
SCHEMBL29556542 0.79 MAPT (0.42) MAPTALDH1A1TDP1POLBLMNA
SCHEMBL30815577 0.79 MYC (0.41) MAPTALDH1A1L3MBTL1POLBLMNA
SCHEMBL27227191 0.79 MYC (0.41) MAPTALDH1A1L3MBTL1POLBLMNA
SCHEMBL20266533 0.79 MAPT (0.42) MAPTALDH1A1TDP1POLBLMNA
SCHEMBL27226512 0.79 KMT2A (0.44) MAPTALDH1A1L3MBTL1TDP1POLB
SCHEMBL11842583 0.78 VCAM1 (0.52) MAPTALDH1A1POLBKMT2AMAPK1

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
EP-4594318-A1 AKT1 MODULATORS Alterome Therapeutics, Inc. (US) 2025-08-06 EP disclosed
US-20250092040-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2025-03-20 US disclosed
US-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 US disclosed
US-11999730-B1 AKT1 modulators ALTEROME THERAPEUTICS, INC. (US) 2024-06-04 US disclosed
US-20240174667-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-05-30 US disclosed
WO-2024073371-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
EP-2366691-B1 THE NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF BEIJING YILING BIOENGINEERING CO LTD (CN) 2015-04-15 EP disclosed
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
EP-2366691-A1 THE NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF Beijing Yiling Bioengineering Co., Ltd. (CN) 2011-09-21 EP 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 (6 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-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 MAPT 1885/4885ALDH1A1 4692/4885L3MBTL1 801/4885
US-20120071515-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF ENPP1, DPYD, NME2 MAPT 3373/4885ALDH1A1 1271/4885L3MBTL1 4873/4885
US-20140073796-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF ENPP1, DPYD, NME2 MAPT 3373/4885ALDH1A1 1271/4885L3MBTL1 4873/4885
US-20250092040-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 MAPT 1885/4885ALDH1A1 4692/4885L3MBTL1 801/4885
US-11999730-B1 AKT1 modulators AKT1S1, AKT1, AKT2 MAPT 1885/4885ALDH1A1 4692/4885L3MBTL1 801/4885
US-20240174667-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 MAPT 1885/4885ALDH1A1 4692/4885L3MBTL1 801/4885

“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.