SCHEMBL6603361

SCHEMBL6603361

COCCNC(=O)c1cc(C(C)(C)C)cc([N+](=O)[O-])c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 3/20 0.45
CYP3A4 P08684 1/20 0.45
LMNA P02545 2/20 0.42
ALDH1A1 P00352 5/20 0.41
HCAR3 P49019 1/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
NR5A2 O00482 1/20 0.39
NR5A1 Q13285 1/20 0.39
GAA P10253 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL14155437 0.88 POLB (0.43) POLBHPGDMEN1KMT2AMAPK1
SCHEMBL16106219 0.85 CTSD (0.44) POLBHPGDMEN1KMT2AMAPK1
SCHEMBL18186633 0.81 MEN1 (0.58) POLBMEN1KMT2AL3MBTL1LMNA
SCHEMBL1599294 0.81 ALDH1A1 (0.48) POLBMEN1KMT2AMAPK1NPC1
SCHEMBL1303020 0.81 ALDH1A1 (0.46) HPGDMEN1KMT2AMAPK1NPC1
SCHEMBL16106448 0.81 KMT2A (0.49) POLBHPGDMEN1KMT2AMAPK1
SCHEMBL16106449 0.81 KMT2A (0.49) POLBHPGDMEN1KMT2AMAPK1
SCHEMBL16158049 0.80 CA12 (0.44) HPGDMEN1KMT2AMAPK1LMNA
SCHEMBL689245 0.79 TPMT (0.51) HPGDMEN1KMT2AMAPK1NPC1
SCHEMBL4948393 0.79 HPGD (0.38) POLBHPGDMEN1KMT2AMAPK1

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 4 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
EP-1395561-A1 CARBAMATE AND OXAMIDE COMPOUNDS AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-03-10 EP disclosed
US-20030092702-A1 Novel carbamate and oxamide compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-15 US disclosed
WO-2002096876-A1 CARBAMATE AND OXAMIDE COMPOUNDS AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-05 WO 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 POLB 2654/4885HPGD 354/4885MEN1 4334/4885

“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.