SCHEMBL6702103

SCHEMBL6702103

CC(C)(O)C(C)(C)OB(O)c1ccc(Oc2cccc([N+](=O)[O-])c2)c(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
F10 P00742 1/20 0.39
TBXA2R P21731 6/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTPRC P08575 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6703129 0.84 LMNA (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2698628 0.80 PTPRC (0.45) KMT2AALDH1A1LMNAPTPRCSMN1; SMN2
SCHEMBL18580627 0.75 ALDH1A1 (0.40) KMT2AMAPTALDH1A1
SCHEMBL7822262 0.73 LMNA (0.58) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL1608761 0.72 ALDH1A1 (0.40) ALDH1A1HPGDCYP2C19
SCHEMBL6698447 0.72 ERN1 (0.33)
SCHEMBL17744625 0.70 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6928480 0.69 MAPT (0.56) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL557225 0.69 MEN1 (0.38) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL77037 0.69 TSHR (0.44) MEN1KMT2AMAPTALDH1A1LMNA

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-20040235792-A1 Serine protease inhibitors compromising a hydrogen-bond acceptor TRIGEN LIMITED (GB) 2004-11-25 US disclosed
WO-2002057273-A9 SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR TRIGEN LTD (GB) 2002-11-28 WO disclosed
WO-2002057273-A1 SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR TRIGEN LIMITED (GB) 2002-07-25 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-20040235792-A1 Serine protease inhibitors compromising a hydrogen-bond acceptor SERPINB1, SPINT2, CTRL MEN1 2436/4885KMT2A 3131/4885MAPT 3990/4885

“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.