SCHEMBL4201072

SCHEMBL4201072

O=[N+]([O-])c1ccc(F)c(F)c1CCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HIF1A Q16665 2/20 0.41
VCAM1 P19320 1/20 0.39
CASP6 P55212 1/20 0.38
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HNF4A P41235 1/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6057969 0.85 TSHR (0.43) ATMTDP1TSHRALDH1A1HIF1A
SCHEMBL9031753 0.83 TDP1 (0.44) ATMTDP1TSHRALDH1A1VCAM1
SCHEMBL10586114 0.83 TDP1 (0.40) ATMTDP1TSHRALDH1A1HIF1A
SCHEMBL3391673 0.79 CYP1A2 (0.45) ATMTDP1TSHRALDH1A1HIF1A
SCHEMBL7646920 0.79 GPR35 (0.46) ATMTDP1TSHRALDH1A1CYP1A2
SCHEMBL29701589 0.79 GPR35 (0.46) ATMTDP1TSHRALDH1A1CYP1A2
SCHEMBL944512 0.79 TDP1 (0.44) ATMTDP1TSHRALDH1A1HIF1A
SCHEMBL30472770 0.79 TDP1 (0.44) ATMTDP1TSHRALDH1A1HIF1A
SCHEMBL9031916 0.77 ITGB1 (0.38) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL28540089 0.77 ATM (0.43) ATMTDP1TSHRALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-09-24 US disclosed
EP-1940825-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS Astra Zeneca AB (SE) 2008-07-09 EP disclosed
WO-2007034143-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2007-03-29 WO disclosed
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
EP-0470578-B1 Novel tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KK (JP) 1996-11-06 EP disclosed
US-5399553-A Oral absorbability WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-03-21 US disclosed
US-5254685-A Tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-10-19 US disclosed
EP-0470578-A1 Novel tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1992-02-12 EP 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 (4 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 ATM 847/4885TDP1 865/4885TSHR 2389/4885
US-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ABL1, ERBB2, CDK2 ATM 362/4885TDP1 2300/4885TSHR 2110/4885
US-20020061872-A1 Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors TFPI, PLG, PLAT ATM 1077/4885TDP1 1398/4885TSHR 2559/4885
US-20030073833-A1 Aminopyridyl-substituted phenyl acetamides as protease inhibitors TFPI, F12, PLAT ATM 864/4885TDP1 1312/4885TSHR 2666/4885

“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.