SCHEMBL6429606

SCHEMBL6429606

O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2cccc(O)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 3/20 0.54
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
SLC2A1 P11166 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.48
FABP1 P07148 1/20 0.47
FABP6 P51161 1/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL6427163 0.87 ALDH1A1 (0.62) ALDH1A1POLBCA12CA1CA2
SCHEMBL12443384 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBL3MBTL1CA12
SCHEMBL6429493 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBLMNAHTT
SCHEMBL6427510 0.85 FAAH (0.57) ALDH1A1KDM4EPOLBL3MBTL1CA12
SCHEMBL6428095 0.81 ALDH1A1 (0.61) ALDH1A1CA12CA1CA2CA7
SCHEMBL6429461 0.79 POLB (0.70) ALDH1A1POLBCA12CA1CA2
SCHEMBL6427441 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EPOLBL3MBTL1CA12
SCHEMBL31349252 0.75 KCNJ1 (0.53) ALDH1A1KDM4EPOLBL3MBTL1CA12
SCHEMBL2925701 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EL3MBTL1CA12CA2
SCHEMBL6428414 0.73 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBCA12CA1

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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, NDUFS5 ALDH1A1 2116/4885KDM4E 2025/4885POLB 2506/4885

“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.