SCHEMBL16645385

SCHEMBL16645385

O=[N+]([O-])c1ccc(NCc2cc(Cl)cc(Cl)c2O)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.61
KMT2A Q03164 9/20 0.61
MAPT P10636 8/20 0.61
PKM P14618 4/20 0.61
GAA P10253 2/20 0.61
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
HTT P42858 2/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 4/20 0.47
HIF1A Q16665 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
AURKA O14965 1/20 0.47
NPC1 O15118 1/20 0.47
PDPK1 O15530 1/20 0.47
JAK2 O60674 1/20 0.47

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
SCHEMBL15367493 0.85 MAPT (0.56) MEN1KMT2AMAPTPKMGAA
SCHEMBL19327734 0.85 MAPT (0.59) MEN1KMT2AMAPTPKMGAA
SCHEMBL10848159 0.84 CA12 (0.64) MEN1KMT2AMAPTGAACA12
SCHEMBL16645384 0.78 CA1 (0.52) MEN1KMT2AMAPTGAACA12
SCHEMBL16641985 0.77 KMT2A (0.54) MEN1KMT2AMAPTPKMGAA
SCHEMBL23675367 0.75 MAPT (0.54) MEN1KMT2AMAPTPKMGAA
SCHEMBL30100470 0.75 MAPT (0.54) MEN1KMT2AMAPTPKMGAA
SCHEMBL4263591 0.74 MAPT (0.73) MEN1KMT2AMAPTPKMGAA
SCHEMBL29936212 0.74 MAPT (0.73) MEN1KMT2AMAPTPKMGAA
SCHEMBL6815029 0.74 KMT2A (0.70) MEN1KMT2AMAPTPKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105324-A1 COMPOSITIONS AND METHODS FOR TREATING PTSD AND RELATED DISEASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-04-16 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 (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-20150105324-A1 COMPOSITIONS AND METHODS FOR TREATING PTSD AND RELATED DISEASES GRIN2A, GRIN1, GRIN2C MEN1 4328/4885KMT2A 1058/4885MAPT 813/4885

“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.