SCHEMBL6411329

SCHEMBL6411329

O=CNc1cccc(Oc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TSHR P16473 2/20 0.56
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
AKR1C3 P42330 1/20 0.50
HDAC8 Q9BY41 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
PLAU P00749 1/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
MAOB P27338 1/20 0.46
LMNA P02545 1/20 0.46
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
LTA4H P09960 1/20 0.44
F13A1 P00488 1/20 0.44

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
SCHEMBL18745417 0.82 MAPT (0.47) ALDH1A1TSHRMITFMAPTHPGD
SCHEMBL4674459 0.82 ALDH1A1 (0.64) ALDH1A1TSHRHTTMAPTHPGD
SCHEMBL10683066 0.81 ALDH1A1 (0.52) ALDH1A1TSHRHTTRAB9AMAOB
SCHEMBL10676597 0.80 PRSS1 (0.53) ALDH1A1TSHRHTTRAB9AMAOB
SCHEMBL29959920 0.79 ALDH1A1 (0.56) ALDH1A1TSHRPOLBMAPK1MAPT
SCHEMBL1188678 0.79 ALDH1A1 (0.56) ALDH1A1TSHRPOLBMAPK1MAPT
SCHEMBL5174546 0.78 MAOB (0.60) SIRT2MAOBMEN1KMT2A
SCHEMBL12700595 0.78 ALDH1A1 (0.58) ALDH1A1TSHRMITFPOLBMAPK1
SCHEMBL1347464 0.78 ALDH1A1 (0.47) ALDH1A1TSHRPOLBMAPK1MAPT
SCHEMBL12129057 0.77 ALDH1A1 (0.67) ALDH1A1MAPK1HTTMAPTLMNA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852752-B2 Urea compounds, compositions and methods of use and preparation VICURON PHARMACEUTICALS INC. (US) 2005-02-08 US claimed
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US claimed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP claimed
US-20020119962-A1 Novel urea compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-29 US claimed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US claimed
WO-2001044178-A1 NOVEL UREA COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO claimed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO claimed
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US disclosed
WO-2001044178-A1 NOVEL UREA COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO disclosed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO disclosed
US-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 US disclosed
US-4504595-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-03-12 US disclosed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US disclosed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 US 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 (5 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-20110301208-A1 VIRAL AND FUNGAL INHIBITORS HAVCR2, ZC3HAV1, ERG28 ALDH1A1 2480/4885TSHR 4703/4885MITF 3743/4885
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE ALDH1A1 4046/4885TSHR 4359/4885MITF 2268/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885TSHR 173/4885MITF 1566/4885
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA ALDH1A1 1152/4885TSHR 4589/4885MITF 3211/4885
US-20020119962-A1 Novel urea compounds, compositions and methods of use and preparation PDF, UROD, HDHD5 ALDH1A1 3175/4885TSHR 3464/4885MITF 2562/4885

“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.