SCHEMBL6057727

SCHEMBL6057727

CC(=O)OCCc1c([N+](=O)[O-])ccc(N)c1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
RAD52 P43351 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 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
SCHEMBL9031916 0.88 ITGB1 (0.38) MAPTALDH1A1LMNARAD52MEN1
SCHEMBL3515877 0.79 LMNA (0.41) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6057969 0.78 TSHR (0.43) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL14019283 0.77 LMNA (0.47) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL27542150 0.76 MAPT (0.43) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9031800 0.76 RAD52 (0.40) ALDH1A1RAD52TSHRTDP1CYP3A4
SCHEMBL6180186 0.75 RAD52 (0.48) MAPTALDH1A1LMNARAD52MEN1
SCHEMBL27757429 0.74 SMN1; SMN2 (0.35) MAPTALDH1A1LMNAKMT2ATSHR
SCHEMBL6057514 0.74 PDK1 (0.39) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL10433026 0.73 ITGB1 (0.39) MAPTALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324981-B1 AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-08-23 EP disclosed
US-20050159457-A1 Aminopyridinyl-, aminoguanidinyl- and alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors PAN WENXI (US) 2005-07-21 US disclosed
US-6900231-B2 Aminopyridyl-substituted phenyl acetamides as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
EP-1324981-A2 AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-07-09 EP disclosed
US-20030073833-A1 Aminopyridyl-substituted phenyl acetamides as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-04-17 US disclosed
US-6521663-B2 For oral administration or embedded or otherwise attached to medical devices for blood collection and/or treatment 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-18 US disclosed
US-20020061872-A1 Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS 2002-05-23 US disclosed
WO-2002028825-A2 AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-04-11 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 (3 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-20050159457-A1 Aminopyridinyl-, aminoguanidinyl- and alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors F12, TFPI, PLG MAPT 3068/4885ALDH1A1 2874/4885LMNA 2687/4885
US-20020061872-A1 Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors TFPI, PLG, PLAT MAPT 3360/4885ALDH1A1 3201/4885LMNA 2905/4885
US-20030073833-A1 Aminopyridyl-substituted phenyl acetamides as protease inhibitors TFPI, F12, PLAT MAPT 2792/4885ALDH1A1 2765/4885LMNA 3207/4885

“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.