SCHEMBL5470513

SCHEMBL5470513

Cc1ccccc1N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 5/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.48
GFER P55789 1/20 0.48
MAPK1 P28482 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL5482658 0.88 KDM4E (0.47) ALDH1A1KDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL5474128 0.83 DRD2 (0.45)
SCHEMBL15800712 0.77 ALDH1A1 (0.78) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL5479921 0.77 P2RX7 (0.50) ALDH1A1LMNA
SCHEMBL8168498 0.74 MEN1 (0.64) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL2716970 0.73 ALDH1A1 (0.73) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL374227 0.73 ALDH1A1 (0.73) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL6858096 0.72 MEN1 (0.65) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL6961010 0.72 TAAR1 (0.57) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL922597 0.71 ALDH1A1 (0.70) ALDH1A1KDM4ETDP1MEN1KMT2A

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 ALDH1A1 1694/4885KDM4E 4309/4885TDP1 1340/4885

“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.