SCHEMBL2901895

SCHEMBL2901895

O=[N+]([O-])c1ccc(Oc2nc[c]cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PDE7A Q13946 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 3/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
MERTK Q12866 1/20 0.41
ATM Q13315 1/20 0.40
FAAH O00519 1/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MYOC Q99972 1/20 0.39
PTPN7 P35236 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL8371026 0.77 HSPB1 (0.50) HSPB1MEN1KMT2APDE7AHTT
SCHEMBL2900255 0.77 PTGS2 (0.39) HTTLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL6629345 0.77 PIN1 (0.43) MEN1KMT2AHTTLMNARAB9A
SCHEMBL2902878 0.75 LMNA (0.40) MEN1KMT2AHTTLMNARAB9A
SCHEMBL2897637 0.74 LMNA (0.39) HTTLMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL11379537 0.73 HSPB1 (0.49) HSPB1MEN1KMT2ARXFP1PDE7A
SCHEMBL1707043 0.72 PIN1 (0.58) HSPB1MEN1KMT2ARXFP1HTT
SCHEMBL2897808 0.72 HSPB1 (0.52) HSPB1MEN1KMT2ARXFP1HTT
SCHEMBL11011149 0.70 FAAH (0.65) MEN1KMT2AHTTLMNARAB9A
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.70 HSPB1 (0.79) HSPB1MEN1KMT2AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 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 (1 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HSPB1 3871/4885MEN1 2671/4885KMT2A 412/4885

“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.