SCHEMBL6712646

SCHEMBL6712646

O=[N+]([O-])c1cc(NCC2CCCCC2)ccc1Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 6/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
HCAR3 P49019 2/20 0.50
TDP1 Q9NUW8 3/20 0.49
POLB P06746 2/20 0.49
MAPK1 P28482 4/20 0.49
CASP7 P55210 1/20 0.49
ALDH3A1 P30838 1/20 0.48
WNK1 Q9H4A3 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
MYC P01106 1/20 0.43
IDO1 P14902 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL16634573 0.85 HCAR3 (0.56) L3MBTL1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL14339589 0.84 ALDH1A1 (0.45) L3MBTL1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL4967594 0.81 MAPT (0.62) L3MBTL1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL3928138 0.81 MAPT (0.51) L3MBTL1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL3928131 0.81 MAPT (0.51) L3MBTL1MAPTALDH1A1SMN1; SMN2HTT
Ammonia Solution, Strong SCHEMBL6712648 0.80 MAPT (0.52) L3MBTL1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL23579537 0.79 MAPT (0.47) MAPTALDH1A1SMN1; SMN2HTTHCAR3
SCHEMBL29974854 0.79 MAPT (0.47) MAPTALDH1A1SMN1; SMN2HTTHCAR3
SCHEMBL23997424 0.78 ALDH1A1 (0.51) L3MBTL1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL3966385 0.78 HTT (0.60) L3MBTL1MAPTALDH1A1SMN1; SMN2HTT

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-20040192748-A1 Heterocyclic compounds BOEHRINGER INGELHEIM PARMACEUTICALS, INC. 2004-09-30 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-20040192748-A1 Heterocyclic compounds IL1B, CCL5, IL4 L3MBTL1 3569/4885MAPT 3685/4885ALDH1A1 158/4885

“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.