SCHEMBL3208528

SCHEMBL3208528

COc1cccc(OC)c1CNC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.66
HTT P42858 3/20 0.56
ALDH1A1 P00352 3/20 0.55
CTSD P07339 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL9647861 0.85 HPGD (0.65) HPGDHTTALDH1A1CTSDSMN1; SMN2
SCHEMBL3213334 0.84 HPGD (0.50) HPGDHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL3198208 0.84 POLB (0.57) HPGDHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6715984 0.82 HPGD (0.57) HPGDHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL9646732 0.81 HPGD (0.72) HPGDHTTALDH1A1SMN1; SMN2TDP1
SCHEMBL4717003 0.81 HPGD (0.47) HPGDHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL16840300 0.80 HPGD (0.69) HPGDHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL6454393 0.80 ALDH1A1 (0.73) HTTALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL9645054 0.80 HPGD (1.00) HPGDHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL23083259 0.79 SMN1; SMN2 (0.62) HPGDHTTALDH1A1SMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 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 (2 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C HPGD 1244/4885HTT 75/4885ALDH1A1 1897/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C HPGD 1244/4885HTT 75/4885ALDH1A1 1897/4885

“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.