SCHEMBL6841595

SCHEMBL6841595

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
GPR35 Q9HC97 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 3/20 0.43
GRM8 O00222 1/20 0.43
GRM4 Q14833 1/20 0.43
TDP1 Q9NUW8 5/20 0.41
MAPT P10636 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTT P42858 2/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 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
SCHEMBL6841592 0.89 TDP1 (0.44) MAPK1ALDH1A1SMN1; SMN2GPR35TP53
SCHEMBL9026753 0.81 GRM8 (0.48) MAPK1ALDH1A1SMN1; SMN2GPR35TP53
SCHEMBL11113945 0.81 TDP1 (0.47) MAPK1ALDH1A1SMN1; SMN2GPR35TP53
SCHEMBL9026746 0.80 TDP1 (0.46) MAPK1ALDH1A1SMN1; SMN2GPR35TP53
SCHEMBL20623073 0.80 TDP1 (0.46) MAPK1ALDH1A1SMN1; SMN2GPR35TP53
SCHEMBL2332862 0.77 ALDH1A1 (0.53) MAPK1ALDH1A1SMN1; SMN2GPR35TP53
SCHEMBL28052793 0.76 ALDH1A1 (0.51) MAPK1ALDH1A1SMN1; SMN2GPR35TP53
SCHEMBL10895136 0.74 TDP1 (0.50) MAPK1ALDH1A1SMN1; SMN2GPR35TP53
SCHEMBL14844208 0.74 GRM8 (0.49) MAPK1ALDH1A1SMN1; SMN2GPR35TP53
SCHEMBL8643545 0.73 GRM8 (0.47) MAPK1ALDH1A1SMN1; SMN2GPR35TP53

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 MAPK1 1866/4885ALDH1A1 683/4885SMN1; SMN2 1008/4885

“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.