SCHEMBL6841592

SCHEMBL6841592

CCCC(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C[O])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.44
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 4/20 0.42
GPR35 Q9HC97 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
GAA P10253 2/20 0.42
GRM8 O00222 1/20 0.42
GRM4 Q14833 1/20 0.42
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
CYP1A2 P05177 1/20 0.40
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
POLB P06746 2/20 0.39
CRHBP P24387 1/20 0.38

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
SCHEMBL6841595 0.89 MAPK1 (0.44) TDP1ALDH1A1MAPK1GPR35TP53
SCHEMBL11113945 0.83 TDP1 (0.47) TDP1ALDH1A1MAPK1GPR35TP53
SCHEMBL20623073 0.82 TDP1 (0.46) TDP1ALDH1A1MAPK1GPR35TP53
SCHEMBL9026746 0.82 TDP1 (0.46) TDP1ALDH1A1MAPK1GPR35TP53
SCHEMBL9026753 0.81 GRM8 (0.48) TDP1ALDH1A1MAPK1GPR35TP53
SCHEMBL10895136 0.76 TDP1 (0.50) TDP1ALDH1A1MAPK1GPR35TP53
SCHEMBL27407133 0.76 ALDH1A1 (0.43) TDP1ALDH1A1MAPK1GPR35TP53
SCHEMBL11429726 0.74 TDP1 (0.55) TDP1ALDH1A1MAPK1GPR35TP53
SCHEMBL9735630 0.74 PDK1 (0.55) TDP1ALDH1A1MAPK1GPR35TP53
SCHEMBL27130871 0.74 TDP1 (0.55) TDP1ALDH1A1MAPK1GPR35TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266802-A1 Tricyclic analgesics CALVET ALAIN (US) 2004-12-30 US disclosed
EP-1235808-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
WO-2000075116-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2000-12-14 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-20040266802-A1 Tricyclic analgesics OPRM1, OPRL1, OPRD1 TDP1 2097/4885ALDH1A1 683/4885MAPK1 1866/4885

“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.