SCHEMBL6778696

SCHEMBL6778696

COc1c(NC(C)(C)C)cccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TDP1 Q9NUW8 4/20 0.45
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 6/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40

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
SCHEMBL677655 0.80 MAPK1 (0.55) ALDH1A1TDP1NPSR1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL20984256 0.79 ALDH1A1 (0.46) ALDH1A1TDP1MAPK1L3MBTL1MEN1
Bromide SCHEMBL20984424 0.79 ALDH1A1 (0.46) ALDH1A1TDP1MAPK1L3MBTL1MEN1
SCHEMBL358770 0.79 TDP1 (0.61) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL29154936 0.78 PDK1 (0.44) ALDH1A1TDP1NPSR1MAPK1L3MBTL1
Nitric Acid SCHEMBL20984791 0.77 ALDH1A1 (0.44) ALDH1A1TDP1MAPK1L3MBTL1MEN1
SCHEMBL20984593 0.76 ALDH1A1 (0.47) ALDH1A1TDP1MAPK1MEN1KMT2A
SCHEMBL2949659 0.76 TDP1 (0.54) ALDH1A1TDP1NPSR1L3MBTL1KMT2A
Sulfuric Acid SCHEMBL20984945 0.75 F2 (0.46) ALDH1A1TDP1MAPK1MEN1KMT2A
Phosphoric Acid SCHEMBL20984988 0.75 KMT2A (0.44) ALDH1A1TDP1MAPK1L3MBTL1MEN1

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-6743788-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; AUTOIMMUNE DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-01 US disclosed
US-20030092702-A1 Novel carbamate and oxamide compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-15 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-20030092702-A1 Novel carbamate and oxamide compounds IFNG, CXCR1, ARG1 ALDH1A1 1014/4885TDP1 3340/4885NPSR1 2133/4885

“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.