SCHEMBL4138824

SCHEMBL4138824

O=[N+]([O-])c1cc[n+]([O-])cc1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.75
MAPT P10636 3/20 0.65
PKM P14618 1/20 0.65
RAB9A P51151 1/20 0.65
NPSR1 Q6W5P4 1/20 0.60
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
SIGMAR1 Q99720 5/20 0.53
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
BCHE P06276 2/20 0.52
ACHE P22303 2/20 0.52
BACE1 P56817 2/20 0.52
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.46

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
SCHEMBL6159635 0.86 MAPK1 (1.00) MAPK1MAPTPKMRAB9ANPSR1
Hydrochloric Acid SCHEMBL11102389 0.85 MAPK1 (0.97) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL8884292 0.81 MAPK1 (0.77) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL28058849 0.80 MAPT (0.49) MAPK1MAPTPKMRAB9AKMT2A
SCHEMBL7014000 0.80 MAPK1 (0.82) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL6161561 0.79 MAPK1 (0.80) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL6585695 0.78 MAPK1 (0.78) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL4069632 0.78 MEN1 (0.76) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL3288703 0.78 MAPK1 (0.78) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL3604839 0.78 MAPK1 (0.74) MAPK1MAPTPKMRAB9ANPSR1

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-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 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-20090209578-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CXCR1 MAPK1 1254/4885MAPT 4495/4885PKM 1912/4885

“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.