SCHEMBL6058052

SCHEMBL6058052

C=CCc1c(C)ccc([N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
PIN1 Q13526 2/20 0.40
BACE1 P56817 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.39
PTPN1 P18031 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL18960826 0.83 PTPN1 (0.43) MAPTHTR1AADRA1DADRA1AADRA1B
SCHEMBL5261603 0.81 KMT2A (0.41) ALDH1A1HTTMEN1KMT2ANPC1
SCHEMBL5261599 0.81 KMT2A (0.41) ALDH1A1HTTMEN1KMT2ANPC1
SCHEMBL6057897 0.78 TSHR (0.40) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL15123629 0.78 MAPT (0.46) MAPTHTR1AADRA1DADRA1AADRA1B
SCHEMBL11516740 0.78 MEN1 (0.48) MAPTHTR1AADRA1DADRA1AADRA1B
SCHEMBL10211971 0.77 PTGS2 (0.42) ALDH1A1HTTKMT2ARAB9APOLB
SCHEMBL15871971 0.76 HTR1A (0.53) MAPTHTR1AADRA1DADRA1AADRA1B
SCHEMBL428060 0.76 TDP1 (0.40) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL428061 0.76 TDP1 (0.40) MAPTALDH1A1MEN1KMT2ANPC1

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 3068/4885HTR1A 1895/4885ADRA1D 2032/4885
US-20020061872-A1 Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors TFPI, PLG, PLAT MAPT 3360/4885HTR1A 2409/4885ADRA1D 2188/4885
US-20030073833-A1 Aminopyridyl-substituted phenyl acetamides as protease inhibitors TFPI, F12, PLAT MAPT 2792/4885HTR1A 2409/4885ADRA1D 3030/4885

“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.