SCHEMBL5482202

SCHEMBL5482202

O=C1CN(Cc2ccc([N+](=O)[O-])cc2)CCCN1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.55
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
BACE1 P56817 2/20 0.47
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KCNJ1 P48048 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TRPV6 Q9H1D0 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
SCHEMBL5474062 0.83 ALDH1A1 (0.51) ALDH1A1LMNAHRH3
SCHEMBL3156886 0.78 KDM4E (0.73) CCR2ALDH1A1KDM4ELMNAMAPT
SCHEMBL1576273 0.77 SIGMAR1 (0.55) ALDH1A1MAPTSMN1; SMN2
SCHEMBL5482658 0.76 KDM4E (0.47) CCR2ALDH1A1KDM4ELMNAMAPT
SCHEMBL5626457 0.75 ALDH1A1 (0.74) CCR2ALDH1A1KDM4EBCHEACHE
SCHEMBL2206628 0.75 KDM4E (0.73) CCR2ALDH1A1KDM4ELMNAMAPT
SCHEMBL3151686 0.75 POLB (0.71) CCR2ALDH1A1KDM4ELMNAMAPT
SCHEMBL27301766 0.74 ALDH1A1 (0.52) ALDH1A1KDM4EBCHEACHEBACE1
SCHEMBL10425934 0.74 HRH3 (0.41) CCR2ALDH1A1ACHELMNAMAPT
SCHEMBL3143167 0.74 KDM4E (0.71) CCR2ALDH1A1KDM4ELMNAMAPT

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-20070010529-A1 Nitrogenous heterocyclic compounds and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-11 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-20070010529-A1 Nitrogenous heterocyclic compounds and medical use thereof MAPK1, NOS1, NOS2 CCR2 183/4885ALDH1A1 1694/4885KDM4E 4309/4885

“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.