SCHEMBL13398457

SCHEMBL13398457

O=[N+](O)c1cccc(CN2CCNCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM3 P20309 10/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL2657985 0.85 ALDH1A1 (0.65) SIGMAR1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL29531890 0.85 ALDH1A1 (0.65) SIGMAR1ALDH1A1KDM4EMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL2926248 0.84 ALDH1A1 (0.64) SIGMAR1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL21961925 0.79 SIGMAR1 (0.71) SIGMAR1TDP1MEN1KMT2A
SCHEMBL1259602 0.79 SIGMAR1 (0.71) SIGMAR1TDP1MEN1KMT2A
Bromide SCHEMBL1259195 0.77 SIGMAR1 (0.69) SIGMAR1ALDH1A1TDP1MEN1KMT2A
SCHEMBL6383841 0.76 SIGMAR1 (0.62) SIGMAR1ALDH1A1TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL27637901 0.75 SIGMAR1 (0.61) SIGMAR1ALDH1A1TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL4838680 0.75 SIGMAR1 (0.61) SIGMAR1TDP1MEN1KMT2ACHRM3
Hydrochloric Acid SCHEMBL27637891 0.75 SIGMAR1 (0.61) SIGMAR1TDP1MEN1KMT2ACHRM3

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-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 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-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX SIGMAR1 1677/4885ALDH1A1 802/4885KDM4E 2274/4885

“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.