SCHEMBL16301233

SCHEMBL16301233

[N-]=[N+]=NCc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GFER P55789 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
FDPS P14324 1/20 0.35
ACHE P22303 1/20 0.35

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
Hydrochloric Acid SCHEMBL25381777 0.98 GFER (0.42) TDP1ALDH1A1GFERCYP3A4TSHR
SCHEMBL14189703 0.88 HDAC3 (0.45) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL16147762 0.82 HRH3 (0.44) LOXL2HDAC3HDAC1HDAC2HDAC8
SCHEMBL15590852 0.81 HDAC3 (0.41) GFERHDAC3HDAC1HDAC2HDAC8
SCHEMBL15233019 0.81 HDAC1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15590854 0.81 HDAC3 (0.41) TDP1ALDH1A1CYP3A4TSHRHDAC3
SCHEMBL31415834 0.80 GFER (0.54) TDP1ALDH1A1GFERCYP3A4TSHR
SCHEMBL14280518 0.79 HDAC3 (0.44) TDP1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL18868423 0.78 ALDH1A1 (0.55) TDP1ALDH1A1GFERCYP3A4TSHR
SCHEMBL15290260 0.77 HDAC3 (0.46) TDP1ALDH1A1TSHRHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250170104-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE FACTOR Lasß HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2025-05-29 US disclosed
EP-4486452-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE FACTOR LASSS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2025-01-08 EP disclosed
CN-118994003-A 2-Oxo subunit-1H-quinoline-4-formic acid derivative, preparation method and application thereof 中国药科大学 2024-11-22 CN disclosed
WO-2023166039-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE FACTOR Lasß Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-09-07 WO disclosed
WO-2023166039-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE FACTOR Lasß Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-09-07 WO disclosed
US-20120196989-A1 SYNTHESIS OF HOMOPOLYMERS AND BLOCK COPOLYMERS INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2012-08-02 US disclosed
US-20120196989-A1 SYNTHESIS OF HOMOPOLYMERS AND BLOCK COPOLYMERS INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2012-08-02 US disclosed
US-20110124840-A1 Synthesis of Homopolymers and Block Copolymers INTEZYNE TECHNOLOGIES, INC. 2011-05-26 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-20110124840-A1 Synthesis of Homopolymers and Block Copolymers PARG, PCNA, PARN TDP1 1461/4885ALDH1A1 4499/4885GFER 117/4885
US-20250170104-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA VIRULENCE FACTOR Lasß LTA, SERPINB1, LAS1L TDP1 4216/4885ALDH1A1 3061/4885GFER 979/4885

“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.