SCHEMBL801407

SCHEMBL801407

O=COc1cnc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.36
PIN1 Q13526 8/20 0.35
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 2/20 0.33
PKM P14618 2/20 0.33
KMT2A Q03164 2/20 0.33
G6PD P11413 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
PRKDC P78527 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GPR35 Q9HC97 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
SCHEMBL3643305 0.80 PIN1 (0.47) PIN1MAPTKDM4EMAPK1MEN1
SCHEMBL18776136 0.78 ALDH1A1 (0.34) PIN1MAPTKDM4EMAPK1MEN1
SCHEMBL28018377 0.77 PIN1 (0.40) VCAM1PIN1MAPTKDM4EMEN1
SCHEMBL12225596 0.75 CHRNB2 (0.38) MAPTNPSR1LMNAALDH1A1
SCHEMBL27885517 0.75 ALDH1A1 (0.41) VCAM1PIN1MAPTMAPK1MEN1
SCHEMBL18776085 0.75 SMN1; SMN2 (0.40) MAPTKDM4EMAPK1MEN1PKM
SCHEMBL4175079 0.75 VCAM1 (0.54) VCAM1PIN1MAPTMAPK1TSHR
SCHEMBL15591962 0.73 VCAM1 (0.57) VCAM1MAPTMAPK1TSHRLMNA
SCHEMBL29445407 0.73 MAPK1 (0.44) VCAM1PIN1MAPK1TSHRALDH1A1
SCHEMBL113455 0.73 MAPK1 (0.44) VCAM1PIN1MAPK1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 US 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

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-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 VCAM1 2079/4885PIN1 1635/4885MAPT 1885/4885
US-20120071515-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF ENPP1, DPYD, NME2 VCAM1 4109/4885PIN1 212/4885MAPT 3373/4885
US-20140073796-A1 NITROPYRIDINYL ETHYLENEIMINE COMPOUND, THE PHARMACEUTICAL COMPOSITION CONTAINING IT, THE PREPARATION METHOD AND USE THEREOF ENPP1, DPYD, NME2 VCAM1 4109/4885PIN1 212/4885MAPT 3373/4885

“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.